Information card for entry 8106966

Structure parameters

• Formula: C13 H12 N4 O2
• Calculated formula: C13 H12 N4 O2
• SMILES: O=C(NNC(=O)Nc1ccccc1)c1ccncc1
• Title of publication: Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2
• Authors of publication: Pansuriya, Pramod B.; Patel, Chintan; Friedrich, Holger B.; Maguire, Glenn E. M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 649 - 652
• a: 16.2353 ± 0.0011 Å
• b: 16.8474 ± 0.0012 Å
• c: 36.028 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9854.5 ± 1.1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 2.578
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No