Information card for entry 8101489

Structure parameters

• Formula: C9 H10 N2 Se
• Calculated formula: C9 H10 N2 Se
• SMILES: [Se]=C1N(c2ccccc2N1C)C
• Title of publication: Crystal structure of 1,3-dimethylbenzimidazole-2-selenone, C9H10N2Se
• Authors of publication: Aydın, Abdullah; Soylu, Hüseyin; Kücükbay, Hasan; Akkurt, Mehmet; Ercan, Filiz
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 295 - 296
• a: 7.4136 ± 0.0011 Å
• b: 14.3392 ± 0.0013 Å
• c: 9.2247 ± 0.0012 Å
• α: 90°
• β: 107.702 ± 0.012°
• γ: 90°
• Cell volume: 934.2 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1151
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No