Information card for entry 2018996

Structure parameters

• Common name: Benzaldehyde methyl(pyrazin-2-ylcarbonyl)hydrazone
• Chemical name: <i>N</i>'-Benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazide
• Formula: C13 H12 N4 O
• Calculated formula: C13 H12 N4 O
• SMILES: CN(C(=O)c1cnccn1)/N=C/c1ccccc1
• Title of publication: Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides
• Authors of publication: Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 549 - 555
• a: 7.4961 ± 0.0003 Å
• b: 7.6923 ± 0.0003 Å
• c: 10.8821 ± 0.0007 Å
• α: 73.421 ± 0.005°
• β: 84.844 ± 0.006°
• γ: 88.53 ± 0.006°
• Cell volume: 598.97 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes