Information card for entry 2022759

Structure parameters

• Chemical name: 3-Phenyl-1<i>H</i>-1,3-benzodiazol-2(3<i>H</i>)-one
• Formula: C13 H10 N2 O
• Calculated formula: C13 H10 N2 O
• Title of publication: Polymorphic structures of 3-phenyl-1<i>H</i>-1,3-benzo-diazol-2(3<i>H</i>)-one.
• Authors of publication: Hong, Dabeen; Lee, Kyounghoon
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 534 - 537
• a: 18.0187 ± 0.0009 Å
• b: 6.4455 ± 0.0003 Å
• c: 18.7315 ± 0.001 Å
• α: 90°
• β: 111.181 ± 0.003°
• γ: 90°
• Cell volume: 2028.5 ± 0.18 ų
• Cell temperature: 193.15 K
• Ambient diffraction temperature: 193.15 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: 0.0498
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes