Information card for entry 4510203

Structure parameters

• Common name: benzimidazole salt of sebacic acid
• Formula: C17 H24 N2 O4
• Calculated formula: C17 H24 N2 O4
• SMILES: [O-]C(=O)CCCCCCCCC(=O)O.[nH]1c2c([nH+]c1)cccc2
• Title of publication: Proton Conducting Compound of Benzimidazole with Sebacic Acid: Structure, Molecular Dynamics, and Proton Conductivity
• Authors of publication: Rachocki, Adam; Pogorzelec-Glaser, Katarzyna; Ławniczak, Paweł; Pugaczowa-Michalska, Maria; Łapiński, Andrzej; Hilczer, Bożena; Matczak, Michał; Pietraszko, Adam
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1211
• a: 4.9004 ± 0.001 Å
• b: 14.202 ± 0.003 Å
• c: 14.325 ± 0.003 Å
• α: 118.43 ± 0.03°
• β: 93.44 ± 0.03°
• γ: 97.06 ± 0.03°
• Cell volume: 862 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1942
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 0.749
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No