Information card for entry 2101332

Structure parameters

• Formula: C7 H7 N O
• Calculated formula: C7 H7 N O
• SMILES: NC(=O)c1ccccc1
• Title of publication: Electrostatic potentials from charge-density studies of benzamide at 123 K
• Authors of publication: Ruble, J. R.; Galvao, A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 835 - 838
• a: 5.549 ± 0.001 Å
• b: 5.033 ± 0.001 Å
• c: 21.548 ± 0.004 Å
• α: 90°
• β: 89.22 ± 0.01°
• γ: 90°
• Cell volume: 601.7 ± 0.2 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No