Crystal structure and Hirshfeld surface analysis of 1,2,4-triazolium hydrogen oxalate
Ponjan, Nutcha; Aroonchat, Purita; Chainok, Kittipong; Acta Crystallographica Section E 76 (2020) 137–140; doi:10.1107/S2056989019017304

data_2243240
_publ_section_title
;
 Crystal structure and Hirshfeld surface analysis of 1,2,4-triazolium
 hydrogen oxalate
;
_journal_coeditor_code           WM5529
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              137
_journal_page_last               140
_journal_paper_doi               10.1107/S2056989019017304
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          'C2 H4 N3 +, C2 H O4 -'
_chemical_formula_moiety         'C2 H4 N3 +, C2 H O4 -'
_chemical_formula_sum            'C4 H5 N3 O4'
_chemical_formula_weight         159.11
_chemical_name_systematic
;
1,2,4-Triazolium hydrogen oxalate
;
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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Olex2 1.3-alpha
(compiled 2019.08.16 svn.r3652 for OlexSys, GUI svn.r5895)
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;
SAINT (Bruker, 2016)
;
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APEX3 (Bruker, 2016)
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SAINT (Bruker, 2016)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
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SHELXL (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a)
;
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_diffrn_measurement_device       'four-circle KAPPA diffractometer'
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;
(<i>SADABS</i>; Bruker, 2016)
;
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_exptl_crystal_size_min          0.22
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_refine_diff_density_min         -0.197
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0441P)^2^+0.0686P] where P=(Fo^2^+2Fc^2^)/3'
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_shelx_estimated_absorpt_t_min   0.949
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_shelx_hkl_checksum              13498
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