Information card for entry 2226504

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-(1-Methyl-1<i>H</i>-pyrrol-2-yl)methylidene]pyridine- 4-carbohydrazide
• Formula: C12 H12 N4 O
• Calculated formula: C12 H12 N4 O
• SMILES: O=C(NN=Cc1n(ccc1)C)c1ccncc1
• Title of publication: <i>N</i>'-[(<i>E</i>)-(1-Methyl-1<i>H</i>-pyrrol-2-yl)methylidene]pyridine-4-carbohydrazide
• Authors of publication: Hussain, Abid; Tahir, M. Nawaz; Shafiq, Zahid; Yaqub, Muhammad; Mazhar, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1881
• a: 8.2134 ± 0.0003 Å
• b: 10.674 ± 0.0004 Å
• c: 13.1332 ± 0.0004 Å
• α: 90°
• β: 96.938 ± 0.002°
• γ: 90°
• Cell volume: 1142.95 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.066
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes