##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
2-[(2,4-Dihydroxybenzylidene)amino]-3',6'-bis(ethylamino)spiro[isoindoline-
1,9'-xanthen]-3-one
;
_chemical_name_common     ?
_chemical_formula_moiety     'C35 H36 N4 O4'
_chemical_formula_sum     'C35 H36 N4 O4'
_chemical_formula_iupac     'C35 H36 N4 O4'
_chemical_formula_weight     576.68
_chemical_melting_point     ?
_symmetry_cell_setting     Monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     9.4461(4)
_cell_length_b     26.6905(12)
_cell_length_c     12.2453(5)
_cell_angle_alpha     90.00
_cell_angle_beta     104.423(2)
_cell_angle_gamma     90.00
_cell_volume     2990.0(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     922
_cell_measurement_theta_min     2.30
_cell_measurement_theta_max     17.54
_cell_measurement_temperature     296(2)
_exptl_crystal_description     block
_exptl_crystal_colour     Colorless
_exptl_crystal_size_max     0.25
_exptl_crystal_size_mid     0.23
_exptl_crystal_size_min     0.21
_exptl_crystal_density_diffrn     1.281
_exptl_crystal_density_meas     1.281
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1224
_exptl_absorpt_coefficient_mu     0.085
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.9791
_exptl_absorpt_correction_T_max     0.9824
_exptl_special_details
;
;
_diffrn_ambient_temperature     296(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     15630
_diffrn_reflns_av_R_equivalents     0.0865
_diffrn_reflns_av_sigmaI/netI     0.1066
_diffrn_reflns_theta_min     1.53
_diffrn_reflns_theta_max     25.10
_diffrn_reflns_theta_full     25.10
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     7
_diffrn_reflns_limit_k_min     -31
_diffrn_reflns_limit_k_max     30
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     14
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     5310
_reflns_number_gt     2162
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1863
_refine_ls_R_factor_gt     0.0704
_refine_ls_wR_factor_gt     0.1589
_refine_ls_wR_factor_ref     0.2152
_refine_ls_goodness_of_fit_ref     1.017
_refine_ls_restrained_S_all     1.017
_refine_ls_number_reflns     5310
_refine_ls_number_parameters     393
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0857P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.254
_refine_diff_density_min     -0.217
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2005)'
_computing_cell_refinement     'SAINT (Bruker, 1998)'
_computing_data_reduction     'SAINT (Bruker, 1998)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1 0.3223(7) 0.6153(3) 0.9041(5) 0.133(2) Uani d . 1 . .
    H H1A 0.3370 0.6138 0.8294 0.199 Uiso calc R 1 . .
    H H1B 0.3921 0.5940 0.9532 0.199 Uiso calc R 1 . .
    H H1C 0.3348 0.6491 0.9313 0.199 Uiso calc R 1 . .
    C C2 0.1753(7) 0.5984(2) 0.9018(4) 0.103(2) Uani d . 1 . .
    H H2A 0.1604 0.5990 0.9774 0.124 Uiso calc R 1 . .
    H H2B 0.1613 0.5644 0.8736 0.124 Uiso calc R 1 . .
    C C3 0.0711(7) 0.6969(3) 0.9716(6) 0.157(3) Uani d . 1 . .
    H H3A 0.0060 0.7223 0.9861 0.236 Uiso calc R 1 . .
    H H3B 0.1598 0.7123 0.9635 0.236 Uiso calc R 1 . .
    H H3C 0.0932 0.6737 1.0335 0.236 Uiso calc R 1 . .
    C C4 0.0080(7) 0.6728(3) 0.8778(5) 0.142(3) Uani d . 1 . .
    H H4A -0.0179 0.6983 0.8199 0.170 Uiso calc R 1 . .
    H H4B -0.0835 0.6601 0.8892 0.170 Uiso calc R 1 . .
    C C5 0.0391(5) 0.62734(19) 0.7115(4) 0.0658(13) Uani d . 1 . .
    C C6 -0.0518(5) 0.66052(17) 0.6381(4) 0.0682(14) Uani d . 1 . .
    H H6 -0.0908 0.6879 0.6675 0.082 Uiso calc R 1 . .
    C C7 -0.0847(4) 0.65369(17) 0.5250(4) 0.0619(12) Uani d . 1 . .
    H H7 -0.1472 0.6764 0.4792 0.074 Uiso calc R 1 . .
    C C8 -0.0288(4) 0.61409(15) 0.4742(3) 0.0472(10) Uani d . 1 . .
    C C9 0.0635(4) 0.58217(15) 0.5468(3) 0.0501(11) Uani d . 1 . .
    C C10 0.0969(5) 0.58814(18) 0.6619(4) 0.0651(13) Uani d . 1 . .
    H H10 0.1595 0.5654 0.7076 0.078 Uiso calc R 1 . .
    C C11 0.1123(4) 0.53531(15) 0.3966(3) 0.0490(11) Uani d . 1 . .
    C C12 0.1954(5) 0.49728(16) 0.3683(4) 0.0580(12) Uani d . 1 . .
    H H12 0.2569 0.4789 0.4253 0.070 Uiso calc R 1 . .
    C C13 0.1896(4) 0.48581(17) 0.2564(4) 0.0562(11) Uani d . 1 . .
    C C14 0.3593(6) 0.41531(19) 0.3137(4) 0.0833(16) Uani d . 1 . .
    H H14A 0.3737 0.3835 0.2797 0.100 Uiso calc R 1 . .
    H H14B 0.3058 0.4088 0.3703 0.100 Uiso calc R 1 . .
    C C15 0.5050(6) 0.4366(2) 0.3703(5) 0.110(2) Uani d . 1 . .
    H H15A 0.5603 0.4420 0.3154 0.165 Uiso calc R 1 . .
    H H15B 0.5563 0.4135 0.4265 0.165 Uiso calc R 1 . .
    H H15C 0.4920 0.4678 0.4053 0.165 Uiso calc R 1 . .
    C C16 0.3493(8) 0.4691(3) 0.0552(6) 0.142(3) Uani d . 1 . .
    H H16A 0.3051 0.5018 0.0458 0.213 Uiso calc R 1 . .
    H H16B 0.3526 0.4560 -0.0172 0.213 Uiso calc R 1 . .
    H H16C 0.4468 0.4716 0.1023 0.213 Uiso calc R 1 . .
    C C17 0.2632(7) 0.4358(2) 0.1076(5) 0.1038(19) Uani d . 1 . .
    H H17A 0.2971 0.4017 0.1033 0.125 Uiso calc R 1 . .
    H H17B 0.1619 0.4373 0.0650 0.125 Uiso calc R 1 . .
    C C18 0.0957(5) 0.51575(18) 0.1741(4) 0.0656(13) Uani d . 1 . .
    H H18 0.0884 0.5099 0.0980 0.079 Uiso calc R 1 . .
    C C19 0.0150(5) 0.55344(17) 0.2056(4) 0.0637(13) Uani d . 1 . .
    H H19 -0.0455 0.5726 0.1496 0.076 Uiso calc R 1 . .
    C C20 0.0197(4) 0.56410(15) 0.3172(3) 0.0471(10) Uani d . 1 . .
    C C21 -0.0665(4) 0.60681(15) 0.3484(3) 0.0477(10) Uani d . 1 . .
    C C22 -0.2316(4) 0.60356(16) 0.2994(3) 0.0493(10) Uani d . 1 . .
    C C23 -0.3254(5) 0.56787(17) 0.3198(3) 0.0613(12) Uani d . 1 . .
    H H23 -0.2916 0.5398 0.3635 0.074 Uiso calc R 1 . .
    C C24 -0.4729(5) 0.57535(19) 0.2726(4) 0.0709(14) Uani d . 1 . .
    H H24 -0.5396 0.5519 0.2859 0.085 Uiso calc R 1 . .
    C C25 -0.5239(5) 0.6164(2) 0.2065(4) 0.0705(14) Uani d . 1 . .
    H H25 -0.6240 0.6206 0.1777 0.085 Uiso calc R 1 . .
    C C26 -0.4286(5) 0.65122(17) 0.1826(4) 0.0640(13) Uani d . 1 . .
    H H26 -0.4621 0.6785 0.1359 0.077 Uiso calc R 1 . .
    C C27 -0.2806(4) 0.64420(15) 0.2306(3) 0.0489(11) Uani d . 1 . .
    C C28 -0.1560(4) 0.67624(17) 0.2241(4) 0.0535(11) Uani d . 1 . .
    C C29 0.1563(5) 0.70297(18) 0.2756(4) 0.0663(13) Uani d . 1 . .
    H H29 0.0997 0.7142 0.2066 0.080 Uiso calc R 1 . .
    C C30 0.3057(5) 0.72331(17) 0.3196(4) 0.0587(12) Uani d . 1 . .
    C C31 0.3612(6) 0.75637(19) 0.2560(4) 0.0783(15) Uani d . 1 . .
    H H31 0.3067 0.7650 0.1842 0.094 Uiso calc R 1 . .
    C C32 0.4987(6) 0.7771(2) 0.2981(5) 0.0872(17) Uani d . 1 . .
    H H32 0.5375 0.7990 0.2541 0.105 Uiso calc R 1 . .
    C C33 0.5776(5) 0.7650(2) 0.4060(5) 0.0733(14) Uani d . 1 . .
    C C34 0.5267(5) 0.73148(19) 0.4713(4) 0.0706(14) Uani d . 1 . .
    H H34 0.5822 0.7228 0.5427 0.085 Uiso calc R 1 . .
    C C35 0.3870(5) 0.71047(17) 0.4268(4) 0.0649(13) Uani d . 1 . .
    N N1 0.0690(5) 0.63236(18) 0.8272(4) 0.0940(15) Uani d . 1 . .
    N N2 0.2709(4) 0.44784(15) 0.2266(3) 0.0749(12) Uani d . 1 . .
    N N3 -0.0361(3) 0.65359(12) 0.2909(3) 0.0519(9) Uani d . 1 . .
    N N4 0.1058(4) 0.67119(13) 0.3293(3) 0.0587(10) Uani d . 1 . .
    O O1 -0.1568(3) 0.71531(11) 0.1705(3) 0.0705(9) Uani d . 1 . .
    O O2 0.7101(4) 0.78780(16) 0.4427(3) 0.1002(13) Uani d . 1 . .
    H H2 0.7411 0.7832 0.5106 0.150 Uiso calc R 1 . .
    O O3 0.3414(4) 0.67909(15) 0.4958(3) 0.0928(12) Uani d . 1 . .
    H H3 0.2595 0.6687 0.4647 0.139 Uiso calc R 1 . .
    O O4 0.1295(3) 0.54163(11) 0.5103(2) 0.0666(9) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C1 C2 . 1.453(7) ?
    C1 H1A . 0.9600 ?
    C1 H1B . 0.9600 ?
    C1 H1C . 0.9600 ?
    C2 N1 . 1.486(7) ?
    C2 H2A . 0.9700 ?
    C2 H2B . 0.9700 ?
    C3 C4 . 1.323(7) ?
    C3 H3A . 0.9600 ?
    C3 H3B . 0.9600 ?
    C3 H3C . 0.9600 ?
    C4 N1 . 1.434(6) ?
    C4 H4A . 0.9700 ?
    C4 H4B . 0.9700 ?
    C5 N1 . 1.380(5) ?
    C5 C10 . 1.388(6) ?
    C5 C6 . 1.395(6) ?
    C6 C7 . 1.354(5) ?
    C6 H6 . 0.9300 ?
    C7 C8 . 1.396(5) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.375(5) ?
    C8 C21 . 1.504(5) ?
    C9 C10 . 1.375(5) ?
    C9 O4 . 1.377(4) ?
    C10 H10 . 0.9300 ?
    C11 C20 . 1.370(5) ?
    C11 O4 . 1.371(4) ?
    C11 C12 . 1.380(5) ?
    C12 C13 . 1.391(5) ?
    C12 H12 . 0.9300 ?
    C13 N2 . 1.374(5) ?
    C13 C18 . 1.413(6) ?
    C14 N2 . 1.465(6) ?
    C14 C15 . 1.490(7) ?
    C14 H14A . 0.9700 ?
    C14 H14B . 0.9700 ?
    C15 H15A . 0.9600 ?
    C15 H15B . 0.9600 ?
    C15 H15C . 0.9600 ?
    C16 C17 . 1.458(7) ?
    C16 H16A . 0.9600 ?
    C16 H16B . 0.9600 ?
    C16 H16C . 0.9600 ?
    C17 N2 . 1.476(6) ?
    C17 H17A . 0.9700 ?
    C17 H17B . 0.9700 ?
    C18 C19 . 1.374(6) ?
    C18 H18 . 0.9300 ?
    C19 C20 . 1.386(5) ?
    C19 H19 . 0.9300 ?
    C20 C21 . 1.504(5) ?
    C21 N3 . 1.496(5) ?
    C21 C22 . 1.527(5) ?
    C22 C23 . 1.366(5) ?
    C22 C27 . 1.381(5) ?
    C23 C24 . 1.384(6) ?
    C23 H23 . 0.9300 ?
    C24 C25 . 1.376(6) ?
    C24 H24 . 0.9300 ?
    C25 C26 . 1.376(6) ?
    C25 H25 . 0.9300 ?
    C26 C27 . 1.388(5) ?
    C26 H26 . 0.9300 ?
    C27 C28 . 1.473(5) ?
    C28 O1 . 1.231(5) ?
    C28 N3 . 1.362(5) ?
    C29 N4 . 1.240(5) ?
    C29 C30 . 1.482(6) ?
    C29 H29 . 0.9300 ?
    C30 C31 . 1.365(6) ?
    C30 C35 . 1.389(6) ?
    C31 C32 . 1.388(6) ?
    C31 H31 . 0.9300 ?
    C32 C33 . 1.385(7) ?
    C32 H32 . 0.9300 ?
    C33 O2 . 1.363(5) ?
    C33 C34 . 1.364(6) ?
    C34 C35 . 1.413(6) ?
    C34 H34 . 0.9300 ?
    C35 O3 . 1.335(5) ?
    N3 N4 . 1.388(4) ?
    O2 H2 . 0.8200 ?
    O3 H3 . 0.8200 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2 C1 H1A . . 109.5 ?
    C2 C1 H1B . . 109.5 ?
    H1A C1 H1B . . 109.5 ?
    C2 C1 H1C . . 109.5 ?
    H1A C1 H1C . . 109.5 ?
    H1B C1 H1C . . 109.5 ?
    C1 C2 N1 . . 108.6(5) ?
    C1 C2 H2A . . 110.0 ?
    N1 C2 H2A . . 110.0 ?
    C1 C2 H2B . . 110.0 ?
    N1 C2 H2B . . 110.0 ?
    H2A C2 H2B . . 108.3 ?
    C4 C3 H3A . . 109.5 ?
    C4 C3 H3B . . 109.5 ?
    H3A C3 H3B . . 109.5 ?
    C4 C3 H3C . . 109.5 ?
    H3A C3 H3C . . 109.5 ?
    H3B C3 H3C . . 109.5 ?
    C3 C4 N1 . . 126.8(6) ?
    C3 C4 H4A . . 105.6 ?
    N1 C4 H4A . . 105.6 ?
    C3 C4 H4B . . 105.6 ?
    N1 C4 H4B . . 105.6 ?
    H4A C4 H4B . . 106.1 ?
    N1 C5 C10 . . 121.3(4) ?
    N1 C5 C6 . . 122.4(4) ?
    C10 C5 C6 . . 116.3(4) ?
    C7 C6 C5 . . 121.4(4) ?
    C7 C6 H6 . . 119.3 ?
    C5 C6 H6 . . 119.3 ?
    C6 C7 C8 . . 122.9(4) ?
    C6 C7 H7 . . 118.6 ?
    C8 C7 H7 . . 118.6 ?
    C9 C8 C7 . . 115.5(4) ?
    C9 C8 C21 . . 122.2(4) ?
    C7 C8 C21 . . 122.4(4) ?
    C8 C9 C10 . . 122.5(4) ?
    C8 C9 O4 . . 122.8(4) ?
    C10 C9 O4 . . 114.6(4) ?
    C9 C10 C5 . . 121.4(4) ?
    C9 C10 H10 . . 119.3 ?
    C5 C10 H10 . . 119.3 ?
    C20 C11 O4 . . 123.0(4) ?
    C20 C11 C12 . . 122.4(4) ?
    O4 C11 C12 . . 114.5(4) ?
    C11 C12 C13 . . 121.6(4) ?
    C11 C12 H12 . . 119.2 ?
    C13 C12 H12 . . 119.2 ?
    N2 C13 C12 . . 122.4(4) ?
    N2 C13 C18 . . 121.4(4) ?
    C12 C13 C18 . . 116.2(4) ?
    N2 C14 C15 . . 114.0(5) ?
    N2 C14 H14A . . 108.8 ?
    C15 C14 H14A . . 108.8 ?
    N2 C14 H14B . . 108.8 ?
    C15 C14 H14B . . 108.8 ?
    H14A C14 H14B . . 107.7 ?
    C14 C15 H15A . . 109.5 ?
    C14 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    C14 C15 H15C . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    C17 C16 H16A . . 109.5 ?
    C17 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    C17 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    C16 C17 N2 . . 114.0(5) ?
    C16 C17 H17A . . 108.8 ?
    N2 C17 H17A . . 108.8 ?
    C16 C17 H17B . . 108.8 ?
    N2 C17 H17B . . 108.8 ?
    H17A C17 H17B . . 107.7 ?
    C19 C18 C13 . . 120.5(4) ?
    C19 C18 H18 . . 119.8 ?
    C13 C18 H18 . . 119.8 ?
    C18 C19 C20 . . 122.9(4) ?
    C18 C19 H19 . . 118.5 ?
    C20 C19 H19 . . 118.5 ?
    C11 C20 C19 . . 116.3(4) ?
    C11 C20 C21 . . 122.3(4) ?
    C19 C20 C21 . . 121.3(4) ?
    N3 C21 C8 . . 110.5(3) ?
    N3 C21 C20 . . 109.5(3) ?
    C8 C21 C20 . . 110.6(3) ?
    N3 C21 C22 . . 99.2(3) ?
    C8 C21 C22 . . 111.6(3) ?
    C20 C21 C22 . . 114.9(3) ?
    C23 C22 C27 . . 121.7(4) ?
    C23 C22 C21 . . 127.8(4) ?
    C27 C22 C21 . . 110.5(3) ?
    C22 C23 C24 . . 117.1(4) ?
    C22 C23 H23 . . 121.5 ?
    C24 C23 H23 . . 121.5 ?
    C25 C24 C23 . . 121.9(4) ?
    C25 C24 H24 . . 119.0 ?
    C23 C24 H24 . . 119.0 ?
    C26 C25 C24 . . 120.8(4) ?
    C26 C25 H25 . . 119.6 ?
    C24 C25 H25 . . 119.6 ?
    C25 C26 C27 . . 117.5(4) ?
    C25 C26 H26 . . 121.2 ?
    C27 C26 H26 . . 121.2 ?
    C22 C27 C26 . . 120.9(4) ?
    C22 C27 C28 . . 109.7(4) ?
    C26 C27 C28 . . 129.3(4) ?
    O1 C28 N3 . . 126.1(4) ?
    O1 C28 C27 . . 128.4(4) ?
    N3 C28 C27 . . 105.4(4) ?
    N4 C29 C30 . . 121.0(4) ?
    N4 C29 H29 . . 119.5 ?
    C30 C29 H29 . . 119.5 ?
    C31 C30 C35 . . 119.9(4) ?
    C31 C30 C29 . . 119.7(4) ?
    C35 C30 C29 . . 120.4(4) ?
    C30 C31 C32 . . 120.2(5) ?
    C30 C31 H31 . . 119.9 ?
    C32 C31 H31 . . 119.9 ?
    C33 C32 C31 . . 119.6(5) ?
    C33 C32 H32 . . 120.2 ?
    C31 C32 H32 . . 120.2 ?
    O2 C33 C34 . . 121.9(5) ?
    O2 C33 C32 . . 116.2(5) ?
    C34 C33 C32 . . 121.9(4) ?
    C33 C34 C35 . . 117.8(4) ?
    C33 C34 H34 . . 121.1 ?
    C35 C34 H34 . . 121.1 ?
    O3 C35 C30 . . 124.3(4) ?
    O3 C35 C34 . . 115.0(4) ?
    C30 C35 C34 . . 120.7(4) ?
    C5 N1 C4 . . 121.0(5) ?
    C5 N1 C2 . . 120.4(4) ?
    C4 N1 C2 . . 118.4(4) ?
    C13 N2 C14 . . 119.9(4) ?
    C13 N2 C17 . . 121.9(4) ?
    C14 N2 C17 . . 117.9(4) ?
    C28 N3 N4 . . 129.9(3) ?
    C28 N3 C21 . . 115.1(3) ?
    N4 N3 C21 . . 113.9(3) ?
    C29 N4 N3 . . 121.3(4) ?
    C33 O2 H2 . . 109.5 ?
    C35 O3 H3 . . 109.5 ?
    C11 O4 C9 . . 118.5(3) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N1 C5 C6 C7 . . . . -177.1(4) ?
    C10 C5 C6 C7 . . . . 1.8(7) ?
    C5 C6 C7 C8 . . . . -1.2(7) ?
    C6 C7 C8 C9 . . . . -0.3(6) ?
    C6 C7 C8 C21 . . . . 179.8(4) ?
    C7 C8 C9 C10 . . . . 1.1(6) ?
    C21 C8 C9 C10 . . . . -179.0(4) ?
    C7 C8 C9 O4 . . . . -179.2(4) ?
    C21 C8 C9 O4 . . . . 0.7(6) ?
    C8 C9 C10 C5 . . . . -0.4(7) ?
    O4 C9 C10 C5 . . . . 179.8(4) ?
    N1 C5 C10 C9 . . . . 177.9(4) ?
    C6 C5 C10 C9 . . . . -1.1(7) ?
    C20 C11 C12 C13 . . . . -0.2(7) ?
    O4 C11 C12 C13 . . . . 179.5(4) ?
    C11 C12 C13 N2 . . . . -179.5(4) ?
    C11 C12 C13 C18 . . . . 0.9(6) ?
    N2 C13 C18 C19 . . . . 179.8(4) ?
    C12 C13 C18 C19 . . . . -0.7(7) ?
    C13 C18 C19 C20 . . . . -0.3(7) ?
    O4 C11 C20 C19 . . . . 179.6(4) ?
    C12 C11 C20 C19 . . . . -0.8(6) ?
    O4 C11 C20 C21 . . . . 2.7(6) ?
    C12 C11 C20 C21 . . . . -177.6(4) ?
    C18 C19 C20 C11 . . . . 1.0(6) ?
    C18 C19 C20 C21 . . . . 177.9(4) ?
    C9 C8 C21 N3 . . . . -126.4(4) ?
    C7 C8 C21 N3 . . . . 53.5(5) ?
    C9 C8 C21 C20 . . . . -5.0(5) ?
    C7 C8 C21 C20 . . . . 174.9(4) ?
    C9 C8 C21 C22 . . . . 124.3(4) ?
    C7 C8 C21 C22 . . . . -55.8(5) ?
    C11 C20 C21 N3 . . . . 125.3(4) ?
    C19 C20 C21 N3 . . . . -51.4(5) ?
    C11 C20 C21 C8 . . . . 3.4(5) ?
    C19 C20 C21 C8 . . . . -173.3(4) ?
    C11 C20 C21 C22 . . . . -124.1(4) ?
    C19 C20 C21 C22 . . . . 59.2(5) ?
    N3 C21 C22 C23 . . . . 179.7(4) ?
    C8 C21 C22 C23 . . . . -63.9(6) ?
    C20 C21 C22 C23 . . . . 63.1(6) ?
    N3 C21 C22 C27 . . . . -2.5(4) ?
    C8 C21 C22 C27 . . . . 113.9(4) ?
    C20 C21 C22 C27 . . . . -119.1(4) ?
    C27 C22 C23 C24 . . . . -2.9(7) ?
    C21 C22 C23 C24 . . . . 174.6(4) ?
    C22 C23 C24 C25 . . . . 1.0(7) ?
    C23 C24 C25 C26 . . . . 1.6(8) ?
    C24 C25 C26 C27 . . . . -2.2(7) ?
    C23 C22 C27 C26 . . . . 2.3(7) ?
    C21 C22 C27 C26 . . . . -175.6(4) ?
    C23 C22 C27 C28 . . . . 180.0(4) ?
    C21 C22 C27 C28 . . . . 2.1(5) ?
    C25 C26 C27 C22 . . . . 0.3(6) ?
    C25 C26 C27 C28 . . . . -176.9(4) ?
    C22 C27 C28 O1 . . . . 179.4(4) ?
    C26 C27 C28 O1 . . . . -3.2(8) ?
    C22 C27 C28 N3 . . . . -0.6(5) ?
    C26 C27 C28 N3 . . . . 176.8(4) ?
    N4 C29 C30 C31 . . . . 176.7(4) ?
    N4 C29 C30 C35 . . . . -5.8(7) ?
    C35 C30 C31 C32 . . . . 0.1(7) ?
    C29 C30 C31 C32 . . . . 177.6(5) ?
    C30 C31 C32 C33 . . . . -1.6(8) ?
    C31 C32 C33 O2 . . . . -178.3(5) ?
    C31 C32 C33 C34 . . . . 2.7(8) ?
    O2 C33 C34 C35 . . . . 178.8(4) ?
    C32 C33 C34 C35 . . . . -2.2(8) ?
    C31 C30 C35 O3 . . . . 179.1(5) ?
    C29 C30 C35 O3 . . . . 1.6(7) ?
    C31 C30 C35 C34 . . . . 0.3(7) ?
    C29 C30 C35 C34 . . . . -177.1(4) ?
    C33 C34 C35 O3 . . . . -178.1(4) ?
    C33 C34 C35 C30 . . . . 0.7(7) ?
    C10 C5 N1 C4 . . . . -179.5(5) ?
    C6 C5 N1 C4 . . . . -0.6(8) ?
    C10 C5 N1 C2 . . . . 5.7(7) ?
    C6 C5 N1 C2 . . . . -175.4(5) ?
    C3 C4 N1 C5 . . . . -145.1(8) ?
    C3 C4 N1 C2 . . . . 29.7(12) ?
    C1 C2 N1 C5 . . . . 78.6(6) ?
    C1 C2 N1 C4 . . . . -96.3(7) ?
    C12 C13 N2 C14 . . . . 4.7(7) ?
    C18 C13 N2 C14 . . . . -175.8(4) ?
    C12 C13 N2 C17 . . . . 179.7(5) ?
    C18 C13 N2 C17 . . . . -0.8(7) ?
    C15 C14 N2 C13 . . . . -83.1(6) ?
    C15 C14 N2 C17 . . . . 101.7(6) ?
    C16 C17 N2 C13 . . . . 79.7(7) ?
    C16 C17 N2 C14 . . . . -105.3(6) ?
    O1 C28 N3 N4 . . . . 11.1(7) ?
    C27 C28 N3 N4 . . . . -168.9(4) ?
    O1 C28 N3 C21 . . . . 178.8(4) ?
    C27 C28 N3 C21 . . . . -1.2(5) ?
    C8 C21 N3 C28 . . . . -115.0(4) ?
    C20 C21 N3 C28 . . . . 122.9(4) ?
    C22 C21 N3 C28 . . . . 2.2(4) ?
    C8 C21 N3 N4 . . . . 54.7(4) ?
    C20 C21 N3 N4 . . . . -67.4(4) ?
    C22 C21 N3 N4 . . . . 171.9(3) ?
    C30 C29 N4 N3 . . . . 177.2(4) ?
    C28 N3 N4 C29 . . . . -27.2(7) ?
    C21 N3 N4 C29 . . . . 165.0(4) ?
    C20 C11 O4 C9 . . . . -7.5(6) ?
    C12 C11 O4 C9 . . . . 172.8(4) ?
    C8 C9 O4 C11 . . . . 5.7(6) ?
    C10 C9 O4 C11 . . . . -174.5(4) ?
data_global
_journal_date_recd_electronic     2010-04-20
_journal_date_accepted     2010-04-25
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      6
_journal_page_first     o1504
_journal_page_last     o1504
_journal_paper_category     QO
_journal_coeditor_code     JH2147
_publ_contact_author_name     'Professor Feng-ling Yang'
_publ_contact_author_address
;
College of Chemistry and Chemical Engineering
Xuchang University
Xuchang, Henan Province 461000,
People's Republic of China
;
_publ_contact_author_email     xuzhihong1980@yahoo.cn
_publ_contact_author_fax     '86-374-2968881'
_publ_contact_author_phone     '86-374-2968881'
_publ_section_title
;\
2-[(2,4-Dihydroxybenzylidene)amino]-3',6'-bis(ethylamino)spiro[isoindoline-\
1,9'-xanthen]-3-one
;
loop_
    _publ_author_name
    _publ_author_address
    'Zhi-Hong Xu'
;
College of Chemistry and Chemical Engineering
Xuchang University
Xuchang, Henan Province 461000,
People's Republic of China
;
    'Yan-Ling Zhang'
;
College of Chemistry and Chemical Engineering
Xuchang University
Xuchang, Henan Province 461000,
People's Republic of China
;
    'Yan-Ru Zhao'
;
College of Chemistry and Chemical Engineering
Xuchang University
Xuchang, Henan Province 461000,
People's Republic of China
;
    'Feng-Ling Yang'
;
College of Chemistry and Chemical Engineering
Xuchang University
Xuchang, Henan Province 461000,
People's Republic of China
;
