Information card for entry 7215832

Structure parameters

• Common name: N-(3-Pyridyl)-Benzamide
• Formula: C12 H10 N2 O
• Calculated formula: C12 H10 N2 O
• SMILES: C(=O)(Nc1cnccc1)c1ccccc1
• Title of publication: Trimorphism of N-(3-pyridyl)-benzamide
• Authors of publication: Näther, Christian; Jess, Inke; Bahrenburg, Julia; Bank, Dennis; Temps, Friedrich
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 5633
• a: 24.1282 ± 0.0015 Å
• b: 5.2571 ± 0.0002 Å
• c: 16.125 ± 0.0011 Å
• α: 90°
• β: 109.197 ± 0.005°
• γ: 90°
• Cell volume: 1931.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No