##############################################################################
#                                                                            #
# 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 Acta Crystallographica 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.                                       #
#                                                                            #
# 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 journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Ethyl 5-(4-aminophenyl)isoxazole-3-carboxylate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C12 H12 N2 O3'
_chemical_formula_sum     'C12 H12 N2 O3'
_chemical_formula_iupac     'C12 H12 N2 O3'
_chemical_formula_weight     232.24
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     7.591(2)
_cell_length_b     11.303(4)
_cell_length_c     13.818(4)
_cell_angle_alpha     88.155(4)
_cell_angle_beta     87.008(4)
_cell_angle_gamma     86.233(4)
_cell_volume     1181.0(6)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     1005
_cell_measurement_theta_min     3.005
_cell_measurement_theta_max     24.533
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.15
_exptl_crystal_size_mid     0.09
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     1.306
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     488
_exptl_absorpt_coefficient_mu     0.096
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 1999)'
_exptl_absorpt_correction_T_min     0.9858
_exptl_absorpt_correction_T_max     0.9924
_exptl_special_details     ?
_diffrn_ambient_temperature     293(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 SMART CCD area-detector'
_diffrn_measurement_method     'phi and omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     4901
_diffrn_reflns_av_R_equivalents     0.0218
_diffrn_reflns_av_sigmaI/netI     0.0359
_diffrn_reflns_theta_min     1.48
_diffrn_reflns_theta_max     25.01
_diffrn_reflns_theta_full     25.01
_diffrn_measured_fraction_theta_max     0.981
_diffrn_measured_fraction_theta_full     0.981
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     8
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     16
_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 >
σ(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     4074
_reflns_number_gt     2636
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0705
_refine_ls_R_factor_gt     0.0435
_refine_ls_wR_factor_gt     0.1078
_refine_ls_wR_factor_ref     0.1220
_refine_ls_goodness_of_fit_ref     0.975
_refine_ls_restrained_S_all     0.975
_refine_ls_number_reflns     4074
_refine_ls_number_parameters     308
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0658P)²] 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     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.184
_refine_diff_density_min     -0.198
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0095(16)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
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     'SMART (Bruker, 1999)'
_computing_cell_refinement     'SAINT (Bruker, 1999)'
_computing_data_reduction     'SAINT (Bruker, 1999)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXL97 (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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    N N1 0.5335(2) -0.04171(15) 0.21800(13) 0.0772(6) Uani d . 1 1 . .
    H H1A 0.5476 -0.1051 0.1850 0.093 Uiso calc R 1 1 . .
    H H1B 0.4906 -0.0450 0.2768 0.093 Uiso calc R 1 1 . .
    N N2 0.8174(2) 0.50932(15) -0.07787(12) 0.0667(5) Uani d . 1 1 . .
    O O1 0.7833(2) 0.39375(12) -0.04673(10) 0.0676(4) Uani d . 1 1 . .
    O O2 0.85208(17) 0.74084(11) -0.09551(9) 0.0599(4) Uani d . 1 1 . .
    O O3 0.7322(2) 0.76842(12) 0.05446(10) 0.0754(5) Uani d . 1 1 . .
    C C1 0.5794(3) 0.06453(17) 0.17699(14) 0.0546(5) Uani d . 1 1 . .
    C C2 0.6487(3) 0.07114(18) 0.08224(14) 0.0588(5) Uani d . 1 1 . .
    H H2B 0.6668 0.0021 0.0473 0.071 Uiso calc R 1 1 . .
    C C3 0.6913(3) 0.17713(17) 0.03879(14) 0.0568(5) Uani d . 1 1 . .
    H H3A 0.7380 0.1788 -0.0248 0.068 Uiso calc R 1 1 . .
    C C4 0.6653(2) 0.28223(16) 0.08896(13) 0.0487(5) Uani d . 1 1 . .
    C C5 0.5955(3) 0.27542(17) 0.18384(14) 0.0559(5) Uani d . 1 1 . .
    H H5A 0.5774 0.3444 0.2189 0.067 Uiso calc R 1 1 . .
    C C6 0.5525(3) 0.16923(18) 0.22717(14) 0.0585(5) Uani d . 1 1 . .
    H H6A 0.5050 0.1675 0.2906 0.070 Uiso calc R 1 1 . .
    C C7 0.7110(2) 0.39554(17) 0.04488(13) 0.0483(5) Uani d . 1 1 . .
    C C8 0.6983(2) 0.50841(17) 0.07360(13) 0.0517(5) Uani d . 1 1 . .
    H H8A 0.6549 0.5362 0.1334 0.062 Uiso calc R 1 1 . .
    C C9 0.7640(2) 0.57479(17) -0.00509(13) 0.0492(5) Uani d . 1 1 . .
    C C10 0.7795(3) 0.70477(18) -0.01060(14) 0.0530(5) Uani d . 1 1 . .
    C C11 0.8622(3) 0.86764(17) -0.11021(14) 0.0612(6) Uani d . 1 1 . .
    H H11A 0.9401 0.8978 -0.0647 0.073 Uiso calc R 1 1 . .
    H H11B 0.7460 0.9077 -0.1005 0.073 Uiso calc R 1 1 . .
    C C12 0.9325(3) 0.8886(2) -0.21169(16) 0.0807(7) Uani d . 1 1 . .
    H H12A 0.9406 0.9722 -0.2240 0.121 Uiso calc R 1 1 . .
    H H12B 0.8544 0.8583 -0.2560 0.121 Uiso calc R 1 1 . .
    H H12C 1.0477 0.8489 -0.2203 0.121 Uiso calc R 1 1 . .
    N N3 0.0413(3) 0.56811(15) 0.72204(13) 0.0812(6) Uani d . 1 1 . .
    H H3B 0.0532 0.6332 0.6891 0.097 Uiso calc R 1 1 . .
    H H3C -0.0011 0.5699 0.7810 0.097 Uiso calc R 1 1 . .
    N N4 0.3229(2) 0.01690(15) 0.42390(11) 0.0633(5) Uani d . 1 1 . .
    O O4 0.2962(2) 0.13256(12) 0.45691(9) 0.0659(4) Uani d . 1 1 . .
    O O5 0.33623(18) -0.21554(12) 0.40201(9) 0.0609(4) Uani d . 1 1 . .
    O O6 0.2162(2) -0.24455(13) 0.55129(10) 0.0821(5) Uani d . 1 1 . .
    C C13 0.0896(3) 0.46186(17) 0.68074(14) 0.0552(5) Uani d . 1 1 . .
    C C14 0.1581(3) 0.45657(18) 0.58602(14) 0.0600(6) Uani d . 1 1 . .
    H H14A 0.1750 0.5268 0.5508 0.072 Uiso calc R 1 1 . .
    C C15 0.2013(3) 0.35068(17) 0.54298(14) 0.0561(5) Uani d . 1 1 . .
    H H15A 0.2459 0.3504 0.4790 0.067 Uiso calc R 1 1 . .
    C C16 0.1801(2) 0.24361(16) 0.59284(13) 0.0480(5) Uani d . 1 1 . .
    C C17 0.1131(3) 0.24851(17) 0.68872(13) 0.0539(5) Uani d . 1 1 . .
    H H17A 0.0984 0.1781 0.7240 0.065 Uiso calc R 1 1 . .
    C C18 0.0685(3) 0.35428(17) 0.73236(13) 0.0554(5) Uani d . 1 1 . .
    H H18A 0.0241 0.3548 0.7964 0.066 Uiso calc R 1 1 . .
    C C19 0.2207(2) 0.13038(16) 0.54784(13) 0.0476(5) Uani d . 1 1 . .
    C C20 0.1997(3) 0.01638(16) 0.57400(13) 0.0538(5) Uani d . 1 1 . .
    H H20A 0.1517 -0.0124 0.6327 0.065 Uiso calc R 1 1 . .
    C C21 0.2648(2) -0.04958(16) 0.49515(13) 0.0478(5) Uani d . 1 1 . .
    C C22 0.2698(3) -0.18029(18) 0.48701(14) 0.0541(5) Uani d . 1 1 . .
    C C23 0.3394(3) -0.34175(17) 0.38527(15) 0.0625(6) Uani d . 1 1 . .
    H H23A 0.2214 -0.3695 0.3949 0.075 Uiso calc R 1 1 . .
    H H23B 0.4157 -0.3853 0.4301 0.075 Uiso calc R 1 1 . .
    C C24 0.4079(3) -0.3605(2) 0.28296(16) 0.0858(8) Uani d . 1 1 . .
    H H24A 0.4114 -0.4435 0.2695 0.129 Uiso calc R 1 1 . .
    H H24B 0.5248 -0.3330 0.2744 0.129 Uiso calc R 1 1 . .
    H H24C 0.3314 -0.3171 0.2393 0.129 Uiso calc R 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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 . 1.369(2) ?
    N1 H1A . 0.8600 ?
    N1 H1B . 0.8600 ?
    N2 C9 . 1.300(2) ?
    N2 O1 . 1.398(2) ?
    O1 C7 . 1.354(2) ?
    O2 C10 . 1.333(2) ?
    O2 C11 . 1.448(2) ?
    O3 C10 . 1.195(2) ?
    C1 C2 . 1.387(3) ?
    C1 C6 . 1.389(3) ?
    C2 C3 . 1.373(3) ?
    C2 H2B . 0.9300 ?
    C3 C4 . 1.392(3) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.390(2) ?
    C4 C7 . 1.455(2) ?
    C5 C6 . 1.375(3) ?
    C5 H5A . 0.9300 ?
    C6 H6A . 0.9300 ?
    C7 C8 . 1.344(3) ?
    C8 C9 . 1.391(2) ?
    C8 H8A . 0.9300 ?
    C9 C10 . 1.481(3) ?
    C11 C12 . 1.491(3) ?
    C11 H11A . 0.9700 ?
    C11 H11B . 0.9700 ?
    C12 H12A . 0.9600 ?
    C12 H12B . 0.9600 ?
    C12 H12C . 0.9600 ?
    N3 C13 . 1.366(2) ?
    N3 H3B . 0.8600 ?
    N3 H3C . 0.8600 ?
    N4 C21 . 1.296(2) ?
    N4 O4 . 1.397(2) ?
    O4 C19 . 1.354(2) ?
    O5 C22 . 1.317(2) ?
    O5 C23 . 1.451(2) ?
    O6 C22 . 1.201(2) ?
    C13 C14 . 1.384(3) ?
    C13 C18 . 1.404(3) ?
    C14 C15 . 1.367(3) ?
    C14 H14A . 0.9300 ?
    C15 C16 . 1.388(3) ?
    C15 H15A . 0.9300 ?
    C16 C17 . 1.396(2) ?
    C16 C19 . 1.449(3) ?
    C17 C18 . 1.371(3) ?
    C17 H17A . 0.9300 ?
    C18 H18A . 0.9300 ?
    C19 C20 . 1.344(2) ?
    C20 C21 . 1.391(2) ?
    C20 H20A . 0.9300 ?
    C21 C22 . 1.483(3) ?
    C23 C24 . 1.497(3) ?
    C23 H23A . 0.9700 ?
    C23 H23B . 0.9700 ?
    C24 H24A . 0.9600 ?
    C24 H24B . 0.9600 ?
    C24 H24C . 0.9600 ?
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 H1A . . 120.0 ?
    C1 N1 H1B . . 120.0 ?
    H1A N1 H1B . . 120.0 ?
    C9 N2 O1 . . 104.72(15) ?
    C7 O1 N2 . . 109.27(14) ?
    C10 O2 C11 . . 116.18(15) ?
    N1 C1 C2 . . 120.60(18) ?
    N1 C1 C6 . . 121.43(19) ?
    C2 C1 C6 . . 117.93(18) ?
    C3 C2 C1 . . 121.62(18) ?
    C3 C2 H2B . . 119.2 ?
    C1 C2 H2B . . 119.2 ?
    C2 C3 C4 . . 120.66(18) ?
    C2 C3 H3A . . 119.7 ?
    C4 C3 H3A . . 119.7 ?
    C5 C4 C3 . . 117.62(17) ?
    C5 C4 C7 . . 120.65(16) ?
    C3 C4 C7 . . 121.72(17) ?
    C6 C5 C4 . . 121.65(18) ?
    C6 C5 H5A . . 119.2 ?
    C4 C5 H5A . . 119.2 ?
    C5 C6 C1 . . 120.52(19) ?
    C5 C6 H6A . . 119.7 ?
    C1 C6 H6A . . 119.7 ?
    C8 C7 O1 . . 108.23(16) ?
    C8 C7 C4 . . 134.92(17) ?
    O1 C7 C4 . . 116.84(16) ?
    C7 C8 C9 . . 105.37(17) ?
    C7 C8 H8A . . 127.3 ?
    C9 C8 H8A . . 127.3 ?
    N2 C9 C8 . . 112.39(18) ?
    N2 C9 C10 . . 120.72(17) ?
    C8 C9 C10 . . 126.88(18) ?
    O3 C10 O2 . . 124.84(19) ?
    O3 C10 C9 . . 123.04(18) ?
    O2 C10 C9 . . 112.13(17) ?
    O2 C11 C12 . . 107.24(16) ?
    O2 C11 H11A . . 110.3 ?
    C12 C11 H11A . . 110.3 ?
    O2 C11 H11B . . 110.3 ?
    C12 C11 H11B . . 110.3 ?
    H11A C11 H11B . . 108.5 ?
    C11 C12 H12A . . 109.5 ?
    C11 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C11 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C13 N3 H3B . . 120.0 ?
    C13 N3 H3C . . 120.0 ?
    H3B N3 H3C . . 120.0 ?
    C21 N4 O4 . . 104.79(15) ?
    C19 O4 N4 . . 109.59(13) ?
    C22 O5 C23 . . 116.53(15) ?
    N3 C13 C14 . . 121.13(18) ?
    N3 C13 C18 . . 121.11(19) ?
    C14 C13 C18 . . 117.75(18) ?
    C15 C14 C13 . . 121.60(18) ?
    C15 C14 H14A . . 119.2 ?
    C13 C14 H14A . . 119.2 ?
    C14 C15 C16 . . 121.32(18) ?
    C14 C15 H15A . . 119.3 ?
    C16 C15 H15A . . 119.3 ?
    C15 C16 C17 . . 117.28(17) ?
    C15 C16 C19 . . 122.22(17) ?
    C17 C16 C19 . . 120.48(16) ?
    C18 C17 C16 . . 121.82(17) ?
    C18 C17 H17A . . 119.1 ?
    C16 C17 H17A . . 119.1 ?
    C17 C18 C13 . . 120.22(18) ?
    C17 C18 H18A . . 119.9 ?
    C13 C18 H18A . . 119.9 ?
    C20 C19 O4 . . 107.67(16) ?
    C20 C19 C16 . . 135.29(17) ?
    O4 C19 C16 . . 117.04(15) ?
    C19 C20 C21 . . 105.79(16) ?
    C19 C20 H20A . . 127.1 ?
    C21 C20 H20A . . 127.1 ?
    N4 C21 C20 . . 112.16(17) ?
    N4 C21 C22 . . 120.80(17) ?
    C20 C21 C22 . . 127.03(17) ?
    O6 C22 O5 . . 125.0(2) ?
    O6 C22 C21 . . 122.62(18) ?
    O5 C22 C21 . . 112.33(16) ?
    O5 C23 C24 . . 107.44(17) ?
    O5 C23 H23A . . 110.2 ?
    C24 C23 H23A . . 110.2 ?
    O5 C23 H23B . . 110.2 ?
    C24 C23 H23B . . 110.2 ?
    H23A C23 H23B . . 108.5 ?
    C23 C24 H24A . . 109.5 ?
    C23 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C23 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 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
    N3 H3C N2 1_456 0.86 2.44 3.243(3) 156.6
    N3 H3B O6 1_565 0.86 2.62 3.396(2) 150.3
    N1 H1B N4 . 0.86 2.44 3.255(3) 158.8
    N1 H1A O3 1_545 0.86 2.63 3.394(3) 149.2
data_global
_journal_date_recd_electronic     2011-12-01
_journal_date_accepted     2012-03-10
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2012
_journal_volume     68
_journal_issue      4
_journal_page_first     o1111
_journal_page_last     o1111
_journal_paper_category     QO
_journal_paper_doi     10.1107/S1600536812010653
_journal_coeditor_code     BV2198
_publ_contact_author_name     'Associate Professor Jia-Guo Lv '
_publ_contact_author_address
;
Department of Medicinal Chemistry
School of Pharmacy
Second Military Medical University
Shanghai 200433
People's Republic of China
;
_publ_contact_author_email     'ljg20060508@yahoo.com.cn'
_publ_contact_author_fax     '021 81871240'
_publ_contact_author_phone     '021 81871234'
_publ_section_title
;
Ethyl 5-(4-aminophenyl)isoxazole-3-carboxylate
;
loop_
    _publ_author_name
    _publ_author_address
    'Jun-Tao Zhao'
;
      Department of Medicinal Chemistry
      School of Pharmacy
      Second Military Medical University
      Shanghai 200433
      People's Republic of China
;
    'Jing-Jing Qi'
;
      Department of Medicinal Chemistry
      School of Pharmacy
      Second Military Medical University
      Shanghai 200433
      People's Republic of China
;
    'You-Jun Zhou'
;
      Department of Medicinal Chemistry
      School of Pharmacy
      Second Military Medical University
      Shanghai 200433
      People's Republic of China
;
    'Jia-Guo Lv'
;
      Department of Medicinal Chemistry
      School of Pharmacy
      Second Military Medical University
      Shanghai 200433
      People's Republic of China
;
    'Ju Zhu'
;
      Department of Medicinal Chemistry
      School of Pharmacy
      Second Military Medical University
      Shanghai 200433
      People's Republic of China
;
_publ_section_synopsis     .
