Information card for entry 2234315

Structure parameters

• Chemical name: <i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3,7-Dimethylocta-2,6-dien-1-ylidene]pyridine- 4-carbohydrazide
• Formula: C16 H21 N3 O
• Calculated formula: C16 H21 N3 O
• SMILES: CC(=C\C=N\NC(=O)c1ccncc1)/CCC=C(C)C
• Title of publication: <i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3,7-Dimethylocta-2,6-dien-1-ylidene]pyridine-4-carbohydrazide
• Authors of publication: Bhat, Mashooq A.; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1144 - o1145
• a: 17.5415 ± 0.0008 Å
• b: 12.0708 ± 0.0006 Å
• c: 7.843 ± 0.0004 Å
• α: 90°
• β: 101.854 ± 0.003°
• γ: 90°
• Cell volume: 1625.26 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes