Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding
Asma; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher; Acta Crystallographica Section E 74 (2018) 1783–1789; doi:10.1107/S2056989018015864

data_2242737
_publ_section_title
;
 Four 1-aryl-1<i>H</i>-pyrazole-3,4-dicarboxylate derivatives: synthesis,
 molecular conformation and hydrogen bonding
;
_journal_coeditor_code           ZL2741
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1783
_journal_page_last               1789
_journal_paper_doi               10.1107/S2056989018015864
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'C13 H12 N2 O4'
_chemical_formula_moiety         'C13 H12 N2 O4'
_chemical_formula_sum            'C13 H12 N2 O4'
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_chemical_name_systematic
;
Dimethyl 1-phenyl-1<i>H</i>-pyrazole-3,4-dicarboxylate
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_computing_cell_refinement
;
APEX2/SAINT (Bruker, 2004)
;
_computing_data_collection
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APEX2 (Bruker, 2004)
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_computing_data_reduction
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SAINT/XPREP (Bruker, 2004)
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PLATON (Spek, 2009)
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SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009)
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SHELXL2014 (Sheldrick, 2015)
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SHELXS97 (Sheldrick, 2008b)
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(SADABS; Sheldrick, 2008a)
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;
SHELXL2014 (Sheldrick, 2015)
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0511P)^2^+0.3996P] where P=(Fo^2^+2Fc^2^)/3'
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_shelx_estimated_absorpt_t_min   0.983
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_shelx_res_checksum              14301
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