Information card for entry 2018997

Structure parameters

• Chemical name: <i>N</i>'-(2-Methoxybenzylidene)-<i>N</i>-methylpyrazine-2-carbohydrazide
• Formula: C14 H14 N4 O2
• Calculated formula: C14 H14 N4 O2
• SMILES: COc1ccccc1/C=N/N(C(=O)c1cnccn1)C
• 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: 4.032 ± 0.005 Å
• b: 10.628 ± 0.015 Å
• c: 15.034 ± 0.019 Å
• α: 94.08 ± 0.03°
• β: 90.36 ± 0.03°
• γ: 92.07 ± 0.03°
• Cell volume: 642.2 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0668
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes