##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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.                                        #
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# 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  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-
chlorophenyl)methyl]malononitrile
;
_chemical_name_common     ?
_chemical_formula_moiety     'C20 H16 Cl N5'
_chemical_formula_sum     'C20 H16 Cl N5'
_chemical_formula_iupac     'C20 H16 Cl N5'
_chemical_formula_weight     361.83
_chemical_melting_point     ?
_symmetry_cell_setting     Orthorhombic
_symmetry_space_group_name_H-M     'P b c a'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    'x+1/2, -y+1/2, -z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x-1/2, y, -z-1/2'
    '-x-1/2, y-1/2, z'
    'x, -y-1/2, z-1/2'
_cell_length_a     10.4700(11)
_cell_length_b     14.0482(15)
_cell_length_c     25.409(3)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     3737.3(7)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     8329
_cell_measurement_theta_min     2.52
_cell_measurement_theta_max     25.75
_cell_measurement_temperature     294(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.49
_exptl_crystal_size_mid     0.48
_exptl_crystal_size_min     0.45
_exptl_crystal_density_diffrn     1.286
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1504
_exptl_absorpt_coefficient_mu     0.217
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 1997)'
_exptl_absorpt_correction_T_min     0.9009
_exptl_absorpt_correction_T_max     0.9085
_exptl_special_details
;
;
_diffrn_ambient_temperature     294(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     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     32456
_diffrn_reflns_av_R_equivalents     0.0334
_diffrn_reflns_av_sigmaI/netI     0.0220
_diffrn_reflns_theta_min     2.52
_diffrn_reflns_theta_max     28.37
_diffrn_reflns_theta_full     28.37
_diffrn_measured_fraction_theta_max     0.998
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -14
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -18
_diffrn_reflns_limit_k_max     18
_diffrn_reflns_limit_l_min     -33
_diffrn_reflns_limit_l_max     33
_diffrn_standards_number     0
_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     4661
_reflns_number_gt     3055
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0729
_refine_ls_R_factor_gt     0.0405
_refine_ls_wR_factor_gt     0.0969
_refine_ls_wR_factor_ref     0.1181
_refine_ls_goodness_of_fit_ref     1.026
_refine_ls_restrained_S_all     1.026
_refine_ls_number_reflns     4661
_refine_ls_number_parameters     237
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0404P)²+1.3457P] 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     0.181
_refine_diff_density_min     -0.319
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0012(3)
_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'
    'Cl' 'Cl' 0.1484 0.1585
                         '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     'SMART (Bruker, 1997)'
_computing_cell_refinement     'SMART (Bruker, 1997)'
_computing_data_reduction     'SAINT (Bruker, 1997)'
_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
    Cl Cl1 0.34596(7) 1.04230(4) 0.53076(2) 0.0837(2) Uani d . 1 . .
    N N1 0.27144(14) 0.71251(10) 0.78626(5) 0.0509(4) Uani d . 1 . .
    N N2 0.17726(15) 0.64522(12) 0.77803(6) 0.0605(4) Uani d . 1 . .
    N N3 0.43568(16) 0.79533(11) 0.74011(5) 0.0623(4) Uani d . 1 . .
    N N4 0.4155(2) 0.44105(12) 0.68772(7) 0.0751(5) Uani d . 1 . .
    N N5 0.52582(19) 0.58634(13) 0.54493(7) 0.0748(5) Uani d . 1 . .
    C C1 0.18531(16) 0.62494(13) 0.72710(6) 0.0512(4) Uani d . 1 . .
    C C2 0.28333(15) 0.67629(11) 0.70228(5) 0.0414(3) Uani d . 1 . .
    C C3 0.33723(15) 0.73171(11) 0.74145(6) 0.0429(4) Uani d . 1 . .
    C C4 0.0940(2) 0.55545(17) 0.70288(8) 0.0772(7) Uani d . 1 . .
    H H4A 0.0613 0.5811 0.6706 0.116 Uiso calc PR 0.73 . .
    H H4B 0.0245 0.5440 0.7267 0.116 Uiso calc PR 0.73 . .
    H H4C 0.1376 0.4967 0.6958 0.116 Uiso calc PR 0.73 . .
    H H4D 0.0876 0.5001 0.7249 0.116 Uiso calc PR 0.27 . .
    H H4E 0.1244 0.5372 0.6687 0.116 Uiso calc PR 0.27 . .
    H H4F 0.0114 0.5845 0.6996 0.116 Uiso calc PR 0.27 . .
    C C5 0.29537(17) 0.74496(15) 0.83845(6) 0.0579(5) Uani d . 1 . .
    C C6 0.2963(2) 0.84064(18) 0.84956(9) 0.0847(7) Uani d . 1 . .
    H H6 0.2812 0.8854 0.8233 0.102 Uiso calc R 1 . .
    C C7 0.3206(3) 0.8691(3) 0.90156(14) 0.1220(14) Uani d . 1 . .
    H H7 0.3232 0.9335 0.9099 0.146 Uiso calc R 1 . .
    C C8 0.3407(3) 0.8023(4) 0.94005(12) 0.1401(18) Uani d . 1 . .
    H H8 0.3567 0.8218 0.9744 0.168 Uiso calc R 1 . .
    C C9 0.3375(3) 0.7080(3) 0.92837(10) 0.1239(13) Uani d . 1 . .
    H H9 0.3504 0.6632 0.9548 0.149 Uiso calc R 1 . .
    C C10 0.3151(2) 0.6782(2) 0.87746(8) 0.0846(7) Uani d . 1 . .
    H H10 0.3133 0.6136 0.8695 0.102 Uiso calc R 1 . .
    C C11 0.33508(15) 0.76013(11) 0.61584(5) 0.0415(3) Uani d . 1 . .
    C C12 0.22572(17) 0.79784(13) 0.59298(6) 0.0516(4) Uani d . 1 . .
    H H12 0.1491 0.7647 0.5956 0.062 Uiso calc R 1 . .
    C C13 0.2283(2) 0.88387(14) 0.56630(6) 0.0588(5) Uani d . 1 . .
    H H13 0.1545 0.9082 0.5510 0.071 Uiso calc R 1 . .
    C C14 0.3417(2) 0.93244(12) 0.56298(6) 0.0550(5) Uani d . 1 . .
    C C15 0.45228(19) 0.89664(13) 0.58425(7) 0.0569(5) Uani d . 1 . .
    H H15 0.5287 0.9299 0.5811 0.068 Uiso calc R 1 . .
    C C16 0.44836(17) 0.81010(12) 0.61058(6) 0.0510(4) Uani d . 1 . .
    H H16 0.5230 0.7853 0.6249 0.061 Uiso calc R 1 . .
    C C17 0.32395(14) 0.66623(11) 0.64546(5) 0.0401(3) Uani d . 1 . .
    H H17 0.2568 0.6296 0.6278 0.048 Uiso calc R 1 . .
    C C18 0.44800(16) 0.60557(11) 0.64192(6) 0.0444(4) Uani d . 1 . .
    H H18 0.5153 0.6391 0.6613 0.053 Uiso calc R 1 . .
    C C19 0.42937(18) 0.51193(13) 0.66700(6) 0.0525(4) Uani d . 1 . .
    C C20 0.49158(17) 0.59315(12) 0.58707(7) 0.0511(4) Uani d . 1 . .
    H H1N3 0.4639 0.8173 0.7695 0.061 Uiso d R 1 . .
    H H2N3 0.5027 0.7693 0.7270 0.061 Uiso d PR 0.50 A 1
    H H3N3 0.4647 0.8134 0.7101 0.061 Uiso d PR 0.50 B 2
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    Cl1 0.1235(5) 0.0600(3) 0.0677(3) 0.0238(3) 0.0273(3) 0.0234(2)
    N1 0.0586(9) 0.0588(8) 0.0354(7) -0.0138(7) 0.0064(6) -0.0075(6)
    N2 0.0636(9) 0.0760(11) 0.0418(8) -0.0252(8) 0.0098(7) -0.0067(7)
    N3 0.0761(11) 0.0659(9) 0.0448(8) -0.0308(8) 0.0096(7) -0.0120(7)
    N4 0.1013(14) 0.0569(10) 0.0669(11) 0.0076(9) -0.0131(10) 0.0121(8)
    N5 0.0918(13) 0.0807(12) 0.0518(9) 0.0059(10) 0.0158(9) -0.0074(8)
    C1 0.0543(10) 0.0587(10) 0.0405(8) -0.0137(8) 0.0015(7) -0.0033(7)
    C2 0.0474(8) 0.0430(8) 0.0338(7) -0.0020(7) 0.0003(6) -0.0009(6)
    C3 0.0505(9) 0.0416(8) 0.0365(7) -0.0045(7) 0.0040(6) -0.0021(6)
    C4 0.0765(14) 0.0976(16) 0.0575(11) -0.0416(12) 0.0044(10) -0.0101(11)
    C5 0.0542(10) 0.0810(13) 0.0384(8) -0.0124(9) 0.0110(7) -0.0155(8)
    C6 0.0862(16) 0.0897(16) 0.0782(14) -0.0306(13) 0.0300(12) -0.0365(12)
    C7 0.102(2) 0.157(3) 0.107(2) -0.063(2) 0.0500(18) -0.088(2)
    C8 0.091(2) 0.268(5) 0.0613(17) -0.046(3) 0.0176(15) -0.071(3)
    C9 0.112(2) 0.220(4) 0.0398(12) 0.002(3) 0.0031(13) -0.0061(18)
    C10 0.0911(17) 0.120(2) 0.0427(10) 0.0025(15) 0.0073(10) -0.0001(12)
    C11 0.0507(9) 0.0458(8) 0.0281(7) 0.0033(7) 0.0007(6) -0.0010(6)
    C12 0.0513(10) 0.0586(10) 0.0449(9) 0.0051(8) -0.0033(7) 0.0022(7)
    C13 0.0670(12) 0.0632(11) 0.0461(9) 0.0200(10) -0.0025(8) 0.0052(8)
    C14 0.0803(13) 0.0494(9) 0.0353(8) 0.0139(9) 0.0115(8) 0.0056(7)
    C15 0.0649(11) 0.0555(10) 0.0503(10) -0.0040(9) 0.0091(8) 0.0076(8)
    C16 0.0514(10) 0.0555(10) 0.0462(9) 0.0005(8) -0.0012(7) 0.0083(7)
    C17 0.0450(8) 0.0438(8) 0.0315(7) -0.0024(7) -0.0039(6) -0.0020(6)
    C18 0.0516(9) 0.0471(9) 0.0345(7) 0.0018(7) -0.0056(6) -0.0022(6)
    C19 0.0623(11) 0.0530(10) 0.0421(8) 0.0088(8) -0.0079(8) -0.0005(7)
    C20 0.0560(10) 0.0515(10) 0.0457(9) 0.0062(8) 0.0001(8) -0.0027(7)
_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
    Cl1 C14 . 1.7477(17) ?
    N1 C3 . 1.3577(19) ?
    N1 N2 . 1.3819(19) ?
    N1 C5 . 1.424(2) ?
    N2 C1 . 1.328(2) ?
    N3 C3 . 1.365(2) ?
    N3 H1N3 . 0.8602 ?
    N3 H2N3 . 0.8587 ?
    N3 H3N3 . 0.8595 ?
    N4 C19 . 1.136(2) ?
    N5 C20 . 1.133(2) ?
    C1 C2 . 1.404(2) ?
    C1 C4 . 1.499(2) ?
    C2 C3 . 1.384(2) ?
    C2 C17 . 1.5117(19) ?
    C4 H4A . 0.9600 ?
    C4 H4B . 0.9600 ?
    C4 H4C . 0.9600 ?
    C4 H4D . 0.9600 ?
    C4 H4E . 0.9600 ?
    C4 H4F . 0.9600 ?
    C5 C6 . 1.373(3) ?
    C5 C10 . 1.380(3) ?
    C6 C7 . 1.404(4) ?
    C6 H6 . 0.9300 ?
    C7 C8 . 1.371(5) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.359(5) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.379(3) ?
    C9 H9 . 0.9300 ?
    C10 H10 . 0.9300 ?
    C11 C16 . 1.385(2) ?
    C11 C12 . 1.389(2) ?
    C11 C17 . 1.523(2) ?
    C12 C13 . 1.386(2) ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.372(3) ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.373(3) ?
    C15 C16 . 1.388(2) ?
    C15 H15 . 0.9300 ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.556(2) ?
    C17 H17 . 0.9800 ?
    C18 C19 . 1.475(2) ?
    C18 C20 . 1.477(2) ?
    C18 H18 . 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
    C3 N1 N2 . . 111.78(12) ?
    C3 N1 C5 . . 128.89(14) ?
    N2 N1 C5 . . 119.03(13) ?
    C1 N2 N1 . . 104.41(13) ?
    C3 N3 H1N3 . . 118.2 ?
    C3 N3 H2N3 . . 110.3 ?
    H1N3 N3 H2N3 . . 102.1 ?
    C3 N3 H3N3 . . 118.9 ?
    H1N3 N3 H3N3 . . 122.9 ?
    H2N3 N3 H3N3 . . 59.4 ?
    N2 C1 C2 . . 111.96(14) ?
    N2 C1 C4 . . 119.96(16) ?
    C2 C1 C4 . . 128.07(15) ?
    C3 C2 C1 . . 105.31(13) ?
    C3 C2 C17 . . 128.66(14) ?
    C1 C2 C17 . . 125.92(14) ?
    N1 C3 N3 . . 122.28(14) ?
    N1 C3 C2 . . 106.52(13) ?
    N3 C3 C2 . . 131.19(14) ?
    C1 C4 H4A . . 109.5 ?
    C1 C4 H4B . . 109.5 ?
    H4A C4 H4B . . 109.5 ?
    C1 C4 H4C . . 109.5 ?
    H4A C4 H4C . . 109.5 ?
    H4B C4 H4C . . 109.5 ?
    C1 C4 H4D . . 109.5 ?
    H4A C4 H4D . . 141.1 ?
    H4B C4 H4D . . 56.3 ?
    H4C C4 H4D . . 56.3 ?
    C1 C4 H4E . . 109.5 ?
    H4A C4 H4E . . 56.3 ?
    H4B C4 H4E . . 141.1 ?
    H4C C4 H4E . . 56.3 ?
    H4D C4 H4E . . 109.5 ?
    C1 C4 H4F . . 109.5 ?
    H4A C4 H4F . . 56.3 ?
    H4B C4 H4F . . 56.3 ?
    H4C C4 H4F . . 141.1 ?
    H4D C4 H4F . . 109.5 ?
    H4E C4 H4F . . 109.5 ?
    C6 C5 C10 . . 121.1(2) ?
    C6 C5 N1 . . 120.4(2) ?
    C10 C5 N1 . . 118.53(19) ?
    C5 C6 C7 . . 118.2(3) ?
    C5 C6 H6 . . 120.9 ?
    C7 C6 H6 . . 120.9 ?
    C8 C7 C6 . . 120.3(3) ?
    C8 C7 H7 . . 119.8 ?
    C6 C7 H7 . . 119.8 ?
    C9 C8 C7 . . 120.5(3) ?
    C9 C8 H8 . . 119.8 ?
    C7 C8 H8 . . 119.8 ?
    C8 C9 C10 . . 120.3(3) ?
    C8 C9 H9 . . 119.8 ?
    C10 C9 H9 . . 119.8 ?
    C9 C10 C5 . . 119.6(3) ?
    C9 C10 H10 . . 120.2 ?
    C5 C10 H10 . . 120.2 ?
    C16 C11 C12 . . 118.19(15) ?
    C16 C11 C17 . . 123.53(14) ?
    C12 C11 C17 . . 118.29(14) ?
    C13 C12 C11 . . 121.41(17) ?
    C13 C12 H12 . . 119.3 ?
    C11 C12 H12 . . 119.3 ?
    C14 C13 C12 . . 118.72(17) ?
    C14 C13 H13 . . 120.6 ?
    C12 C13 H13 . . 120.6 ?
    C13 C14 C15 . . 121.56(16) ?
    C13 C14 Cl1 . . 119.35(15) ?
    C15 C14 Cl1 . . 119.09(16) ?
    C14 C15 C16 . . 119.04(18) ?
    C14 C15 H15 . . 120.5 ?
    C16 C15 H15 . . 120.5 ?
    C11 C16 C15 . . 121.05(16) ?
    C11 C16 H16 . . 119.5 ?
    C15 C16 H16 . . 119.5 ?
    C2 C17 C11 . . 114.36(12) ?
    C2 C17 C18 . . 109.95(12) ?
    C11 C17 C18 . . 112.45(12) ?
    C2 C17 H17 . . 106.5 ?
    C11 C17 H17 . . 106.5 ?
    C18 C17 H17 . . 106.5 ?
    C19 C18 C20 . . 110.08(14) ?
    C19 C18 C17 . . 110.68(14) ?
    C20 C18 C17 . . 112.15(13) ?
    C19 C18 H18 . . 107.9 ?
    C20 C18 H18 . . 107.9 ?
    C17 C18 H18 . . 107.9 ?
    N4 C19 C18 . . 177.99(18) ?
    N5 C20 C18 . . 178.0(2) ?
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 H1N3 N4 4_656 0.86 2.41 3.159(2) 146.2
    N3 H2N3 N2 6_657 0.86 2.53 3.325(2) 154.6
data_global
_journal_date_recd_electronic     2008-04-17
_journal_date_accepted     2008-04-22
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue      5
_journal_page_first     o908
_journal_page_last     o908
_journal_paper_category     QO
_journal_coeditor_code     NC2101
_publ_contact_author_name     'Xin-Ying Zhang, Xue-Sen Fan'
_publ_contact_author_address
;
School of Chemical and Environmental Sciences,
Henan Key Laboratory for Environmental Pollution Control,
Henan Normal University, Xinxiang,
Henan 453007, People's Republic of China
;
_publ_contact_author_email     xyzh518@sohu.com
_publ_contact_author_fax     '86-373-3326336'
_publ_contact_author_phone     '86-373-3326335'
_publ_section_title
;\
2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chlorophenyl)methyl]\
malononitrile
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Zhang, Xin-Ying' .
;
School of Chemical and Environmental Sciences,
Henan Key Laboratory for Environmental Pollution Control,
Henan Normal University, Xinxiang,
Henan 453007, People's Republic of China
;
    'Li, Xiao-Yan' .
;
School of Chemical and Environmental Sciences,
Henan Key Laboratory for Environmental Pollution Control,
Henan Normal University, Xinxiang,
Henan 453007, People's Republic of China
;
    'Wang, Xia' .
;
School of Chemical and Environmental Sciences,
Henan Key Laboratory for Environmental Pollution Control,
Henan Normal University, Xinxiang,
Henan 453007, People's Republic of China
;
    'Li, Dong-fang' .
;
School of Chemical and Environmental Sciences,
Henan Key Laboratory for Environmental Pollution Control,
Henan Normal University, Xinxiang,
Henan 453007, People's Republic of China
;
    'Fan, Xue-Sen' .
;
School of Chemical and Environmental Sciences,
Henan Key Laboratory for Environmental Pollution Control,
Henan Normal University, Xinxiang,
Henan 453007, People's Republic of China
;
