Information card for entry 8107023

Structure parameters

• Formula: C17 H13 N5 O3
• Calculated formula: C17 H13 N5 O3
• Title of publication: Crystal structure of N′-(4-nitrobenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide, C17H13N5O3
• Authors of publication: Karrouchi, Khalid; Radi, Smaail; Ansar, Mhammed; Taoufik, Jamal; Ghabbour, Hazem A.; Mabkhot, Yahia N.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 839 - 841
• a: 20.1049 ± 0.0008 Å
• b: 11.1534 ± 0.0004 Å
• c: 6.889 ± 0.0003 Å
• α: 90°
• β: 97.224 ± 0.002°
• γ: 90°
• Cell volume: 1532.51 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0619
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No