Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide, C~9~H~10~N~2~O~2~
Gourdon, André; Lainé, Philippe; Acta Crystallographica Section C 50 (1994) 414–415; doi:10.1107/S0108270193002021

data_2009553
_publ_section_title
;
 Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide, C~9~H~10~N~2~O~2~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              414
_journal_page_last               415
_journal_paper_doi               10.1107/S0108270193002021
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C9 H10 N2 O2'
_chemical_formula_sum            'C9 H10 N2 O2'
_chemical_formula_weight         178.191
_chemical_name_systematic
;
Bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxamide
;
_space_group_IT_number           14
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_cell_angle_beta                 99.11(2)
_cell_angle_gamma                90.0
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_cell_length_c                   12.559(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    297
_cell_measurement_theta_max      13
_cell_measurement_theta_min      12
_cell_volume                     868.4(5)
_computing_cell_refinement       'CAD-4 Software CELDIM'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
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'CRYSTALS RC85 (Watkin, Carruthers & Betteridge, 1985)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  CRYSTALS
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_computing_structure_solution    'CRYSTALS and SHELXS86 (Sheldrick, 1986)'
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_diffrn_measurement_device       'CAD-4 Enraf-Nonius'
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_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_coefficient_mu    0.0921
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_refine_ls_hydrogen_treatment    refxyz
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_refine_ls_shift/esd_max         .001
_refine_ls_shift/esd_mean        .0004
_refine_ls_structure_factor_coef F
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_reflns_number_observed          1060
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_reflns_observed_criterion       >3sigma(I)
_cod_data_source_file            pa1037.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 13 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1' was changed to 'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        868(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009553