4-Chloro-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]benzohydrazide
Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Jaber, Abdel-Aal M.; Albayati, Mustafa R.; Acta Crystallographica Section E 70 (2014) o47–; doi:10.1107/S1600536813033345

data_2239147
_publ_section_title
;
 4-Chloro-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]benzohydrazide
;
_journal_coeditor_code           SU2672
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o47
_journal_paper_doi               10.1107/S1600536813033345
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C15 H10 Cl N3 O2'
_chemical_formula_moiety         'C15 H10 Cl N3 O2'
_chemical_formula_sum            'C15 H10 Cl N3 O2'
_chemical_formula_weight         299.71
_chemical_name_systematic
4-Chloro-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]benzohydrazide
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_atom_sites_solution_primary     difmap
_atom_sites_solution_secondary   geom
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   31.0359(12)
_cell_length_b                   5.2549(3)
_cell_length_c                   7.8730(4)
_cell_measurement_reflns_used    3290
_cell_measurement_temperature    102(2)
_cell_measurement_theta_max      68.4658
_cell_measurement_theta_min      2.8476
_cell_volume                     1284.01(11)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2013)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2013)'
_computing_data_reduction        '<i>SAINT</i>  (Bruker, 2013)'
_computing_molecular_graphics    '<i>ORTEP-3 for Windows</i> (Farrugia, 2012)'
_computing_publication_material  '<i>PLATON</i> (Spek, 2009)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      102(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.711
_diffrn_measured_fraction_theta_max 0.875
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON 100 CMOS'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1089
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            4190
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        87.50
_diffrn_reflns_theta_max         68.46
_diffrn_reflns_theta_min         5.70
_exptl_absorpt_coefficient_mu    2.717
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2013)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.297
_refine_diff_density_min         -0.368
_refine_ls_abs_structure_details
;
Flack (1983), 478 Friedal pairs (44% coverage)
;
_refine_ls_abs_structure_Flack   -0.06(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         1596
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.161
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[\S^2^(Fo^2^)+(0.0459P)^2^+3.7436P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1422
_refine_ls_wR_factor_ref         0.1519
_reflns_number_gt                1434
_reflns_number_total             1596
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2672sup1.cif
_cod_data_source_block           I
_cod_database_code               2239147
_cod_database_fobs_code          2239147