Information card for entry 2208594

Structure parameters

• Chemical name: N'-[(2-Methoxyphenyl)carbonothioyl]pyridine-2-carbohydrazide
• Formula: C14 H13 N3 O2 S
• Calculated formula: C14 H13 N3 O2 S
• SMILES: COc1ccccc1C(=S)NNC(=O)c1ccccn1
• Title of publication: <i>N</i>'-(2-Methoxythiobenzoyl)pyridine-2-carbohydrazide
• Authors of publication: Singh, N. K.; Butcher, Ray J; Tripathi, Pratibha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1405 - o1407
• a: 14.608 ± 0.002 Å
• b: 6.709 ± 0.0011 Å
• c: 14.975 ± 0.003 Å
• α: 90°
• β: 112.946 ± 0.003°
• γ: 90°
• Cell volume: 1351.5 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes