Salicylaldehyde Benzoyl Hydrazone
Lyubchova, A.; Cossé-Barbi, A.; Doucet, J. P.; Robert, F.; Souron, J.-P.; Quarton, M.; Acta Crystallographica Section C 51 (1995) 1893–1895; doi:10.1107/S0108270195003076

data_2003898
_publ_section_title
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 Salicylaldehyde Benzoyl Hydrazone
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_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1893
_journal_page_last               1895
_journal_paper_doi               10.1107/S0108270195003076
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C14 H12 N2 O2'
_chemical_formula_sum            'C14 H12 N2 O2'
_chemical_formula_weight         240.26
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P -2n -2ac'
_space_group_name_H-M_alt        'P c 21 n'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.114(5)
_cell_length_b                   10.896(3)
_cell_length_c                   20.883(6)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      13
_cell_volume                     1163.6(12)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1242
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .0875
_exptl_absorpt_correction_T_max  .984
_exptl_absorpt_correction_T_min  .967
_exptl_absorpt_correction_type
'empirical, cylinder (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_density_meas      1.36(3)
_exptl_crystal_description       needle
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .17
_exptl_crystal_size_min          .10
_refine_diff_density_max         .12
_refine_diff_density_min         -0.05
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.47
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     164
_refine_ls_number_reflns         576
_refine_ls_R_factor_obs          .035
_refine_ls_shift/esd_max         .006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         .033
_reflns_number_observed          576
_reflns_number_total             1078
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            hu1117.cif
_cod_data_source_block           hu1117a
_cod_depositor_comments
;
 Changing the space group from 'P 2c -2n' to 'P -2n -2ac' after consulting
 the original publication. All related space group information was changed
 accordingly.

 Antanas Vaitkus,
 2017-07-05
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_cod_original_cell_volume        1164.0(10)
_cod_database_code               2003898