Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium hydrogen oxalate, 2-amino-1,3,4-thiadiazole–succinic acid (1/2), 2-amino-1,3,4-thiadiazole–glutaric acid (1/1) and 2-amino-1,3,4-thiadiazole–adipic acid (1/1)
Matulková, Irena; Císařová, Ivana; Němec, Ivan; Fábry, Jan; Acta Crystallographica Section C 70 (2014) 927–933; doi:10.1107/S2053229614018269

data_2019657
_publ_section_title
;
 Comparison of the hydrogen-bond patterns in 2-amino-1,3,4-thiadiazolium
 hydrogen oxalate, 2-amino-1,3,4-thiadiazole--succinic acid (1/2),
 2-amino-1,3,4-thiadiazole--glutaric acid (1/1) and
 2-amino-1,3,4-thiadiazole--adipic acid (1/1)
;
_journal_coeditor_code           FM3021
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              927
_journal_page_last               933
_journal_paper_doi               10.1107/S2053229614018269
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C2 H3 N3 S1 , C5 H8 O4'
_chemical_formula_moiety         'C2 H3 N3 S1, C5 H8 O4'
_chemical_formula_sum            'C7 H11 N3 O4 S'
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_chemical_name_systematic
;
2-Amino-1,3,4-thiadiazole--glutaric acid (1/1)
;
_space_group_IT_number           61
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_c                   27.8847(7)
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_cell_measurement_temperature    150(2)
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_cell_volume                     1999.02(9)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
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_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2005), PLATON (Spek, 2009) and
JANA2006 (Pet\<r\'i\<cek <i>et al.</i>, 2014)
;
_computing_publication_material  'JANA2006 (Pet\<r\'i\<cek <i>et al.</i>, 2014)'
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'B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)'
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         2295
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.0415
_refine_ls_shift/su_mean         0.0032
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
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_cod_depositor_comments
'Adding full bibliography for 2019655--2019658.cif.'
_cod_original_formula_sum        'C7 H11 N3 O4 S1'
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_cod_database_fobs_code          2019657