##############################################################################
#                                                                            #
# This CIF contains the data for a data article accepted for                 #
# publication in IUCrData. It conforms to the requirements of                #
# Notes for Authors for IUCrData, and has been                               #
# peer reviewed under the auspices of IUCrData.                              #
#                                                                            #
# 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.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the data    # 
# article from which it was obtained.                                        #
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##############################################################################
data_I
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2016-09-06
_journal_date_accepted     2016-10-12
_journal_name_full     'IUCrData'
_journal_year     2016
_journal_volume     1
_journal_issue     10
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     HO
_journal_paper_doi     10.1107/S2414314616016175
_journal_coeditor_code     LH5824
_publ_contact_author_name     'Zhiqiang Guo'
_publ_contact_author_address
;
Scientific Instrument Center, Shanxi University, Taiyuan, 030006, P. R. China
;
_publ_contact_author_email     'gzq@sxu.edu.cn'
_publ_contact_author_fax     '+86 351 7018390'
_publ_contact_author_phone     '+86 351 7018390'
_publ_section_title
;
2,5-Bis[(dimethylamino)methyl]-1H-pyrrole
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Guo, Zhiqiang' .
;
Scientific Instrument Center, Shanxi University, Taiyuan, 030006,
People's Republic of China
;
    'Li, Pengxiang' .
;
School of Chemistry and Chemical Engineering, Shanxi University, Taiyuan,
030006, People's Republic of China
;
    'Feng, Pengcheng' .
;
School of Chemistry and Chemical Engineering, Shanxi University, Taiyuan,
030006, People's Republic of China
;
    'Liu, Kai' .
;
School of Chemistry and Chemical Engineering, Shanxi University, Taiyuan,
030006, People's Republic of China
;
    'Wei, Xuehong' .
;
Scientific Instrument Center, Shanxi University, Taiyuan, 030006,
People's Republic of China
;
_publ_section_synopsis
;
The asymmetric unit contains two independent molecules which are linked into
dimers by two intramolecular Npyrrole---H...Namine hydrogen bonds.
;
_chemical_name_systematic
;
2,5-Bis[(dimethylamino)methyl]-1H-pyrrole
;
_chemical_name_common     ?
_chemical_formula_moiety     'C10 H19 N3'
_chemical_formula_sum     'C10 H19 N3'
_chemical_formula_iupac     'C10 H19 N3'
_chemical_formula_weight     181.28
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/n'
_symmetry_space_group_name_Hall     '-P 2yn'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, -y-1/2, z-1/2'
_cell_length_a     9.8203(4)
_cell_length_b     10.6193(4)
_cell_length_c     22.5202(9)
_cell_angle_alpha     90.00
_cell_angle_beta     98.0980(10)
_cell_angle_gamma     90.00
_cell_volume     2325.09(16)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     9945
_cell_measurement_theta_min     2.89
_cell_measurement_theta_max     28.27
_cell_measurement_temperature     200(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.25
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     1.036
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     800
_exptl_absorpt_coefficient_mu     0.064
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2013)
;
_exptl_absorpt_correction_T_min     0.9842
_exptl_absorpt_correction_T_max     0.9873
_exptl_special_details     ?
_diffrn_ambient_temperature     200(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     16645
_diffrn_reflns_av_R_equivalents     0.0313
_diffrn_reflns_av_sigmaI/netI     0.0217
_diffrn_reflns_theta_min     2.89
_diffrn_reflns_theta_max     25.04
_diffrn_reflns_theta_full     25.04
_diffrn_measured_fraction_theta_max     0.995
_diffrn_measured_fraction_theta_full     0.995
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -26
_diffrn_reflns_limit_l_max     26
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_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     4102
_reflns_number_gt     3463
_reflns_threshold_expression     'I>2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0564
_refine_ls_R_factor_gt     0.0476
_refine_ls_wR_factor_gt     0.1122
_refine_ls_wR_factor_ref     0.1197
_refine_ls_goodness_of_fit_ref     0.998
_refine_ls_restrained_S_all     0.998
_refine_ls_number_reflns     4102
_refine_ls_number_parameters     251
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0550P)²+0.7740P] 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     0.139
_refine_diff_density_min     -0.293
_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'
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_structure_solution
;
SHELXS-97 (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL-97 (Sheldrick, 2008)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
PLATON (Spek, 2009)
;
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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    N N1 0.51916(12) 0.27259(11) 0.49505(5) 0.0330(3) Uani d . 1 1 . .
    N N2 0.46921(11) 0.18139(10) 0.35956(5) 0.0329(3) Uani d . 1 1 . .
    N N3 0.66223(13) 0.33577(11) 0.62140(5) 0.0406(3) Uani d . 1 1 . .
    N N4 0.73647(12) 0.30961(11) 0.34942(5) 0.0349(3) Uani d . 1 1 . .
    N N5 0.57265(13) 0.37168(13) 0.22458(5) 0.0462(3) Uani d . 1 1 . .
    N N6 0.81107(12) 0.21866(12) 0.48359(5) 0.0380(3) Uani d . 1 1 . .
    C C1 0.41230(14) 0.20883(14) 0.46275(6) 0.0373(3) Uani d . 1 1 . .
    C C2 0.29505(15) 0.24217(17) 0.48545(7) 0.0490(4) Uani d . 1 1 . .
    H H2 0.2046 0.2133 0.4716 0.059 Uiso calc R 1 1 . .
    C C3 0.33301(15) 0.32738(17) 0.53326(7) 0.0485(4) Uani d . 1 1 . .
    H H3 0.2727 0.3657 0.5574 0.058 Uiso calc R 1 1 . .
    C C4 0.47210(14) 0.34452(14) 0.53839(6) 0.0372(3) Uani d . 1 1 . .
    C C5 0.56728(15) 0.41779(14) 0.58293(6) 0.0396(3) Uani d . 1 1 . .
    H H5A 0.6209 0.4771 0.5614 0.047 Uiso calc R 1 1 . .
    H H5B 0.5128 0.4679 0.6082 0.047 Uiso calc R 1 1 . .
    C C6 0.5889(2) 0.25212(16) 0.65700(8) 0.0590(5) Uani d . 1 1 . .
    H H6A 0.6549 0.1973 0.6814 0.088 Uiso calc R 1 1 . .
    H H6B 0.5240 0.2005 0.6303 0.088 Uiso calc R 1 1 . .
    H H6C 0.5385 0.3022 0.6833 0.088 Uiso calc R 1 1 . .
    C C7 0.76343(19) 0.40912(16) 0.66004(7) 0.0552(4) Uani d . 1 1 . .
    H H7A 0.7171 0.4591 0.6879 0.083 Uiso calc R 1 1 . .
    H H7B 0.8115 0.4655 0.6355 0.083 Uiso calc R 1 1 . .
    H H7C 0.8300 0.3523 0.6829 0.083 Uiso calc R 1 1 . .
    C C8 0.43384(16) 0.11967(14) 0.41380(6) 0.0393(3) Uani d . 1 1 . .
    H H8A 0.5085 0.0605 0.4291 0.047 Uiso calc R 1 1 . .
    H H8B 0.3489 0.0697 0.4029 0.047 Uiso calc R 1 1 . .
    C C9 0.50189(17) 0.08705(14) 0.31653(7) 0.0451(4) Uani d . 1 1 . .
    H H9A 0.4207 0.0348 0.3040 0.068 Uiso calc R 1 1 . .
    H H9B 0.5774 0.0338 0.3353 0.068 Uiso calc R 1 1 . .
    H H9C 0.5295 0.1293 0.2814 0.068 Uiso calc R 1 1 . .
    C C10 0.35561(16) 0.25880(15) 0.33159(7) 0.0439(4) Uani d . 1 1 . .
    H H10A 0.3820 0.3005 0.2961 0.066 Uiso calc R 1 1 . .
    H H10B 0.3334 0.3225 0.3602 0.066 Uiso calc R 1 1 . .
    H H10C 0.2750 0.2055 0.3196 0.066 Uiso calc R 1 1 . .
    C C11 0.85627(14) 0.26252(15) 0.37998(6) 0.0404(4) Uani d . 1 1 . .
    C C12 0.96231(16) 0.3169(2) 0.35660(8) 0.0666(6) Uani d . 1 1 . .
    H H12 1.0575 0.3025 0.3692 0.080 Uiso calc R 1 1 . .
    C C13 0.90529(18) 0.3985(2) 0.31040(8) 0.0707(6) Uani d . 1 1 . .
    H H13 0.9554 0.4485 0.2860 0.085 Uiso calc R 1 1 . .
    C C14 0.76571(16) 0.39331(15) 0.30672(7) 0.0458(4) Uani d . 1 1 . .
    C C15 0.65633(17) 0.45768(16) 0.26511(7) 0.0476(4) Uani d . 1 1 . .
    H H15A 0.5956 0.5042 0.2890 0.057 Uiso calc R 1 1 . .
    H H15B 0.6998 0.5200 0.2410 0.057 Uiso calc R 1 1 . .
    C C16 0.6545(2) 0.3079(2) 0.18498(9) 0.0700(5) Uani d . 1 1 . .
    H H16A 0.6931 0.3700 0.1599 0.105 Uiso calc R 1 1 . .
    H H16B 0.5962 0.2488 0.1594 0.105 Uiso calc R 1 1 . .
    H H16C 0.7293 0.2617 0.2089 0.105 Uiso calc R 1 1 . .
    C C17 0.46052(19) 0.4411(2) 0.18979(8) 0.0663(5) Uani d . 1 1 . .
    H H17A 0.4985 0.5057 0.1657 0.099 Uiso calc R 1 1 . .
    H H17B 0.4043 0.4814 0.2171 0.099 Uiso calc R 1 1 . .
    H H17C 0.4034 0.3829 0.1632 0.099 Uiso calc R 1 1 . .
    C C18 0.85787(15) 0.16923(14) 0.42902(6) 0.0393(3) Uani d . 1 1 . .
    H H18A 0.7985 0.0973 0.4142 0.047 Uiso calc R 1 1 . .
    H H18B 0.9528 0.1369 0.4395 0.047 Uiso calc R 1 1 . .
    C C19 0.8157(2) 0.11775(19) 0.52785(8) 0.0661(6) Uani d . 1 1 . .
    H H19A 0.9108 0.0889 0.5385 0.099 Uiso calc R 1 1 . .
    H H19B 0.7583 0.0474 0.5109 0.099 Uiso calc R 1 1 . .
    H H19C 0.7811 0.1492 0.5638 0.099 Uiso calc R 1 1 . .
    C C20 0.89513(18) 0.3249(2) 0.50799(8) 0.0625(5) Uani d . 1 1 . .
    H H20A 0.8625 0.3548 0.5447 0.094 Uiso calc R 1 1 . .
    H H20B 0.8881 0.3931 0.4784 0.094 Uiso calc R 1 1 . .
    H H20C 0.9913 0.2981 0.5173 0.094 Uiso calc R 1 1 . .
    H H20 0.6493(17) 0.2851(14) 0.3558(7) 0.043(4) Uiso d . 1 1 . .
    H H21 0.6060(17) 0.2653(14) 0.4890(7) 0.041(4) Uiso d . 1 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
    N1 C1 . 1.3689(17) ?
    N1 C4 . 1.3700(17) ?
    N1 H21 . 0.886(17) ?
    N2 C10 . 1.4557(18) ?
    N2 C9 . 1.4605(17) ?
    N2 C8 . 1.4704(17) ?
    N3 C7 . 1.4519(19) ?
    N3 C6 . 1.453(2) ?
    N3 C5 . 1.4666(18) ?
    N4 C11 . 1.3710(18) ?
    N4 C14 . 1.3693(18) ?
    N4 H20 . 0.926(16) ?
    N5 C16 . 1.450(2) ?
    N5 C15 . 1.460(2) ?
    N5 C17 . 1.458(2) ?
    N6 C19 . 1.4599(19) ?
    N6 C20 . 1.459(2) ?
    N6 C18 . 1.4683(17) ?
    C1 C2 . 1.370(2) ?
    C1 C8 . 1.4906(19) ?
    C2 C3 . 1.416(2) ?
    C2 H2 . 0.9500 ?
    C3 C4 . 1.367(2) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.4903(19) ?
    C5 H5A . 0.9900 ?
    C5 H5B . 0.9900 ?
    C6 H6A . 0.9800 ?
    C6 H6B . 0.9800 ?
    C6 H6C . 0.9800 ?
    C7 H7A . 0.9800 ?
    C7 H7B . 0.9800 ?
    C7 H7C . 0.9800 ?
    C8 H8A . 0.9900 ?
    C8 H8B . 0.9900 ?
    C9 H9A . 0.9800 ?
    C9 H9B . 0.9800 ?
    C9 H9C . 0.9800 ?
    C10 H10A . 0.9800 ?
    C10 H10B . 0.9800 ?
    C10 H10C . 0.9800 ?
    C11 C12 . 1.360(2) ?
    C11 C18 . 1.4820(19) ?
    C12 C13 . 1.408(2) ?
    C12 H12 . 0.9500 ?
    C13 C14 . 1.363(2) ?
    C13 H13 . 0.9500 ?
    C14 C15 . 1.489(2) ?
    C15 H15A . 0.9900 ?
    C15 H15B . 0.9900 ?
    C16 H16A . 0.9800 ?
    C16 H16B . 0.9800 ?
    C16 H16C . 0.9800 ?
    C17 H17A . 0.9800 ?
    C17 H17B . 0.9800 ?
    C17 H17C . 0.9800 ?
    C18 H18A . 0.9900 ?
    C18 H18B . 0.9900 ?
    C19 H19A . 0.9800 ?
    C19 H19B . 0.9800 ?
    C19 H19C . 0.9800 ?
    C20 H20A . 0.9800 ?
    C20 H20B . 0.9800 ?
    C20 H20C . 0.9800 ?
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
    C1 N1 C4 . . 110.12(12) ?
    C1 N1 H21 . . 123.9(10) ?
    C4 N1 H21 . . 126.0(10) ?
    C10 N2 C9 . . 109.09(11) ?
    C10 N2 C8 . . 110.78(11) ?
    C9 N2 C8 . . 110.19(11) ?
    C7 N3 C6 . . 110.34(13) ?
    C7 N3 C5 . . 111.10(12) ?
    C6 N3 C5 . . 111.45(13) ?
    C11 N4 C14 . . 109.83(12) ?
    C11 N4 H20 . . 124.5(10) ?
    C14 N4 H20 . . 125.6(10) ?
    C16 N5 C15 . . 111.41(14) ?
    C16 N5 C17 . . 110.36(14) ?
    C15 N5 C17 . . 109.61(14) ?
    C19 N6 C20 . . 110.40(14) ?
    C19 N6 C18 . . 109.01(12) ?
    C20 N6 C18 . . 111.38(12) ?
    C2 C1 N1 . . 107.18(13) ?
    C2 C1 C8 . . 130.86(13) ?
    N1 C1 C8 . . 121.94(12) ?
    C1 C2 C3 . . 107.69(13) ?
    C1 C2 H2 . . 126.2 ?
    C3 C2 H2 . . 126.2 ?
    C4 C3 C2 . . 107.60(13) ?
    C4 C3 H3 . . 126.2 ?
    C2 C3 H3 . . 126.2 ?
    C3 C4 N1 . . 107.40(13) ?
    C3 C4 C5 . . 130.62(13) ?
    N1 C4 C5 . . 121.87(12) ?
    N3 C5 C4 . . 111.95(12) ?
    N3 C5 H5A . . 109.2 ?
    C4 C5 H5A . . 109.2 ?
    N3 C5 H5B . . 109.2 ?
    C4 C5 H5B . . 109.2 ?
    H5A C5 H5B . . 107.9 ?
    N3 C6 H6A . . 109.5 ?
    N3 C6 H6B . . 109.5 ?
    H6A C6 H6B . . 109.5 ?
    N3 C6 H6C . . 109.5 ?
    H6A C6 H6C . . 109.5 ?
    H6B C6 H6C . . 109.5 ?
    N3 C7 H7A . . 109.5 ?
    N3 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    N3 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    N2 C8 C1 . . 113.95(11) ?
    N2 C8 H8A . . 108.8 ?
    C1 C8 H8A . . 108.8 ?
    N2 C8 H8B . . 108.8 ?
    C1 C8 H8B . . 108.8 ?
    H8A C8 H8B . . 107.7 ?
    N2 C9 H9A . . 109.5 ?
    N2 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    N2 C9 H9C . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    N2 C10 H10A . . 109.5 ?
    N2 C10 H10B . . 109.5 ?
    H10A C10 H10B . . 109.5 ?
    N2 C10 H10C . . 109.5 ?
    H10A C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    C12 C11 N4 . . 107.49(13) ?
    C12 C11 C18 . . 130.10(14) ?
    N4 C11 C18 . . 122.42(12) ?
    C11 C12 C13 . . 107.51(14) ?
    C11 C12 H12 . . 126.2 ?
    C13 C12 H12 . . 126.2 ?
    C14 C13 C12 . . 108.17(14) ?
    C14 C13 H13 . . 125.9 ?
    C12 C13 H13 . . 125.9 ?
    C13 C14 N4 . . 106.99(13) ?
    C13 C14 C15 . . 130.55(14) ?
    N4 C14 C15 . . 122.42(13) ?
    N5 C15 C14 . . 113.52(13) ?
    N5 C15 H15A . . 108.9 ?
    C14 C15 H15A . . 108.9 ?
    N5 C15 H15B . . 108.9 ?
    C14 C15 H15B . . 108.9 ?
    H15A C15 H15B . . 107.7 ?
    N5 C16 H16A . . 109.5 ?
    N5 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    N5 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    N5 C17 H17A . . 109.5 ?
    N5 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    N5 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    N6 C18 C11 . . 114.39(12) ?
    N6 C18 H18A . . 108.7 ?
    C11 C18 H18A . . 108.7 ?
    N6 C18 H18B . . 108.7 ?
    C11 C18 H18B . . 108.7 ?
    H18A C18 H18B . . 107.6 ?
    N6 C19 H19A . . 109.5 ?
    N6 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    N6 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    N6 C20 H20A . . 109.5 ?
    N6 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    N6 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    N1 H21 N6 . 0.886(17) 2.094(17) 2.9699(16) 169.8(14)
    N4 H20 N2 . 0.926(16) 2.095(17) 2.9939(16) 163.5(14)
