Information card for entry 2021361

Structure parameters

• Chemical name: (<i>E</i>)-5,6-Dimethyl-2-styryl-1<i>H</i>-benzo[<i>d</i>]imidazolium hydrogen oxalate
• Formula: C19 H18 N2 O4
• Calculated formula: C19 H18 N2 O4
• SMILES: c1(/C=C/c2ccccc2)[nH]c2cc(c(cc2[nH+]1)C)C.C(=O)(C(=O)[O-])O
• Title of publication: The structures of benzimidazole derivatives and their potential as tuberculostatics
• Authors of publication: Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 5.56861 ± 0.00009 Å
• b: 18.0016 ± 0.0003 Å
• c: 17.1528 ± 0.0003 Å
• α: 90°
• β: 97.8415 ± 0.0007°
• γ: 90°
• Cell volume: 1703.39 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes