Information card for entry 8104951

Structure parameters

• Formula: C13 H9 N3 O2
• Calculated formula: C13 H9 N3 O2
• Title of publication: A new polymorph of 1-(4-nitrophenyl)-1H-benzimidazole (C13H9N3O2)
• Authors of publication: Ibrahim, Halliru; Zamisa, Sizwe J.; Bala, Muhammad D.; Friedrich, Holger B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 23 - 25
• a: 3.7375 ± 0.0001 Å
• b: 27.968 ± 0.0006 Å
• c: 10.2595 ± 0.0002 Å
• α: 90°
• β: 95.512 ± 0.001°
• γ: 90°
• Cell volume: 1067.47 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.0441
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No