4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K
Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean; Acta Crystallographica Section C 62 (2006) o557–o560; doi:10.1107/S0108270106025819

data_2015567
_publ_section_title
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 4-Dimethylamino-\b-nitrostyrene and
 4-dimethylamino-\b-ethyl-\b-nitrostyrene at 100 K
;
_journal_coeditor_code           HJ3016
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o557
_journal_page_last               o560
_journal_paper_doi               10.1107/S0108270106025819
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C10 H12 N2 O2'
_chemical_formula_moiety         'C10 H12 N2 O2'
_chemical_formula_sum            'C10 H12 N2 O2'
_chemical_formula_weight         192.22
_chemical_melting_point          390
_chemical_name_systematic
;
4-dimethyamino-\b-nitrostyrene
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
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_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.1460(2)
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_cell_length_c                   25.1662(7)
_cell_measurement_reflns_used    5978
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      27.482
_cell_measurement_theta_min      2.579
_cell_volume                     1866.28(8)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'CAMERON (Watkin <i>et al.</i>,  1996)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Watkin <i>et al.</i>,  2001)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      100.0(10)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII'
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_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_l_min       -32
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_diffrn_reflns_reduction_process Friedels
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_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_min         2.579
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_exptl_absorpt_coefficient_mu    0.097
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_exptl_absorpt_correction_T_min  0.9751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2002)'
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Prince (1982) modified Chebychev polynomial with five
parameters (Watkin, 1994): 1.34 1.99 1.39 0.636 0.244
;
_refine_ls_weighting_scheme      calc
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2015567
_cod_database_fobs_code          2015567