Information card for entry 2230676

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-2-Methoxybenzylidene]pyrazine-2-carbohydrazide
• Formula: C13 H12 N4 O2
• Calculated formula: C13 H12 N4 O2
• SMILES: COc1ccccc1/C=N/NC(=O)c1cnccn1
• Title of publication: <i>N</i>'-[(<i>E</i>)-2-Methoxybenzylidene]pyrazine-2-carbohydrazide
• Authors of publication: de Souza, Marcus V. N.; da Lima, Camilo H.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1714 - o1715
• a: 7.7615 ± 0.0006 Å
• b: 6.4257 ± 0.0004 Å
• c: 12.248 ± 0.0009 Å
• α: 90°
• β: 93.893 ± 0.003°
• γ: 90°
• Cell volume: 609.44 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes