Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor
Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.; Acta Crystallographica Section B 52 (1996) 487–499; doi:10.1107/S0108768195011773

data_2101520
_publ_section_title
;
 Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands
 for the glycine modulatory site on the NMDA receptor
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              487
_journal_page_last               499
_journal_paper_doi               10.1107/S0108768195011773
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C8 H7 N3 O5'
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_space_group_name_Hall           '-P 2yn'
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_computing_data_collection       'Enraf-Nonius CAD-4F'
_computing_data_reduction        'ENDROC (Rettig, 1978)'
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4F'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
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_exptl_absorpt_coefficient_mu    1.195
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
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_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
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_refine_ls_hydrogen_treatment    refall
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;w = 1/[\s^2^(F^2^) + (0.0667P)^2^ + 0.4087P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
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