Information card for entry 2236792

Structure parameters

• Chemical name: (2<i>E</i>)-<i>N</i>-Methyl-2-[(2<i>E</i>)-3-phenylprop-2-en-1- ylidene]hydrazinecarbothioamide
• Formula: C11 H13 N3 S
• Calculated formula: C11 H13 N3 S
• SMILES: S=C(N/N=C/C=C/c1ccccc1)NC
• Title of publication: (2<i>E</i>)-<i>N</i>-Methyl-2-[(2<i>E</i>)-3-phenylprop-2-en-1-ylidene]hydrazinecarbothioamide
• Authors of publication: Murali Krishna, P.; Anilkumar, G. N.; Hussain Reddy, K.; Kokila, M. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2842
• a: 5.5265 ± 0.0011 Å
• b: 9.467 ± 0.0019 Å
• c: 22.534 ± 0.005 Å
• α: 90°
• β: 91.206 ± 0.003°
• γ: 90°
• Cell volume: 1178.7 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 4
• 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: 0.084
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes