A triclinic polymorph of (E)-2-(4-iso-butyl-phen-yl)-N'-[1-(4-nitro-phen-yl)ethyl-idene]propano-hydrazide.
Manjunath, B. C.; Madan Kumar, S.; Vinayaka, A. C.; Jayasheelan, S.; Sadashiva, M. P.; Lokanath, N. K.; Acta crystallographica. Section E, Structure reports online 69 (2013) o1333–; doi:10.1107/S1600536813019892

data_2311174
_publ_section_title
;
 A triclinic polymorph of
 (E)-2-(4-iso-butyl-phen-yl)-N'-[1-(4-nitro-phen-yl)ethyl-idene]propano-hydrazide.
;
_journal_coeditor_code           GK2579
_journal_issue                   'Pt 8'
_journal_name_full
'Acta crystallographica. Section E, Structure reports online'
_journal_page_first              o1333
_journal_paper_doi               10.1107/S1600536813019892
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C21 H25 N3 O3'
_chemical_formula_moiety         'C21 H25 N3 O3'
_chemical_formula_sum            'C21 H25 N3 O3'
_chemical_formula_weight         367.44
_chemical_melting_point          442
_chemical_name_systematic
(<i>E</i>)-2-(4-Isobutylphenyl)-<i>N</i>'-[1-(4-nitrophenyl)ethylidene]propanohydrazide
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.470(7)
_cell_angle_beta                 110.099(6)
_cell_angle_gamma                107.321(6)
_cell_formula_units_Z            4
_cell_length_a                   12.201(5)
_cell_length_b                   13.429(5)
_cell_length_c                   13.932(5)
_cell_measurement_reflns_used    8844
_cell_measurement_temperature    300
_cell_measurement_theta_max      27.1
_cell_measurement_theta_min      1.6
_cell_volume                     2030.9(13)
_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2009)'
_computing_data_collection       'CrysAlis PRO (Oxford Diffraction, 2009)'
_computing_data_reduction        'CrysAlis PRO (Oxford Diffraction, 2009)'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      300
_diffrn_detector_area_resol_mean 16.0839
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0574
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21740
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.57
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.190
_refine_diff_density_min         -0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         8844
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1356
_refine_ls_R_factor_gt           0.0679
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0752P)^2^+0.3062P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1571
_refine_ls_wR_factor_ref         0.1934
_reflns_number_gt                4673
_reflns_number_total             8844
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gk2579sup1.cif
_cod_data_source_block           I
_cod_database_code               2311174