(<i>E</i>)-(2,4-Dichlorobenzylidene)amino cyclopropanecarboxylate
Wang, Mei-Yi; Zhang, Ya; Acta Crystallographica Section E 68 (2012) o1594–; doi:10.1107/S1600536812018016

data_2235014
_publ_section_title
;
 (<i>E</i>)-(2,4-Dichlorobenzylidene)amino cyclopropanecarboxylate
;
_journal_coeditor_code           HB6735
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1594
_journal_paper_doi               10.1107/S1600536812018016
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          'C11 H9 Cl2 N O2'
_chemical_formula_moiety         'C11 H9 Cl2 N O2'
_chemical_formula_sum            'C11 H9 Cl2 N O2'
_chemical_formula_weight         258.09
_chemical_name_common
;
(<i>E</i>)-2,4-dichlorobenzaldehyde <i>O</i>-cyclopropanecarbonyl oxime
;
_chemical_name_systematic
;
(<i>E</i>)-(2,4-Dichlorobenzylidene)amino cyclopropanecarboxylate
;
_space_group_IT_number           2
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_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                94.90(3)
_cell_angle_beta                 100.42(3)
_cell_angle_gamma                102.70(3)
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_cell_length_b                   7.6030(15)
_cell_length_c                   11.956(2)
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_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.90
_cell_measurement_theta_min      1.75
_cell_volume                     556.7(2)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku Saturn CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -14
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_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    0.565
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_exptl_absorpt_correction_T_min  0.8763
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku/MSC, 2005)'
_exptl_crystal_colour            coloress
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.20
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_refine_diff_density_min         -0.205
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         1937
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0273
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0407P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0738
_refine_ls_wR_factor_ref         0.0757
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6735.cif
_cod_data_source_block           I
_cod_original_cell_volume        556.71(19)
_cod_database_code               2235014
_cod_database_fobs_code          2235014