Information card for entry 7216279

Structure parameters

• Common name: Benzimidazole / isophthalic acid (1:1) cocrystal 4
• Formula: C15 H10 N2 O4
• Calculated formula: C15 H10 N2 O4
• Title of publication: Supramolecular assemblies in salts and co-crystals of imidazoles with dicarboxylic acids
• Authors of publication: Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 64
• Pages of publication: 358
• a: 10.157 ± 0.004 Å
• b: 5.13 ± 0.007 Å
• c: 26.067 ± 0.006 Å
• α: 90°
• β: 90.98 ± 0.04°
• γ: 90°
• Cell volume: 1358 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No