Information card for entry 7209217

Structure parameters

• Common name: Benzimidazole salt of glutaric acid
• Formula: C12 H14 N2 O4
• Calculated formula: C12 H14 N2 O4
• SMILES: c12ccccc1[nH+]c[nH]2.C(=O)(CCCC(=O)O)[O-]
• Title of publication: Structure, hydrogen bond network and proton conductivity of new benzimidazole compounds with dicarboxylic acids
• Authors of publication: Pogorzelec-Glaser, Katarzyna; Rachocki, Adam; Ławniczak, Paweł; Pietraszko, Adam; Pawlaczyk, Czesław; Hilczer, Bożena; Pugaczowa-Michalska, Maria
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 1950
• a: 8.4176 ± 0.0012 Å
• b: 14.7394 ± 0.0014 Å
• c: 19.1141 ± 0.0019 Å
• α: 90°
• β: 100.12 ± 0.012°
• γ: 90°
• Cell volume: 2334.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No