Information card for entry 2236064

Structure parameters

• Chemical name: 2-Cyclohexylidene-<i>N</i>-methylhydrazinecarbothioamide
• Formula: C8 H15 N3 S
• Calculated formula: C8 H15 N3 S
• SMILES: S=C(NC)NN=C1CCCCC1
• Title of publication: 2-Cyclohexylidene-<i>N</i>-methylhydrazinecarbothioamide
• Authors of publication: Tayamon, Shahedeh; Mazlan, Nurul Ain; Ravoof, Thahira Begum S. A.; Mohamed Tahir, Mohamed Ibrahim; Crouse, Karen A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3104 - o3105
• a: 10.0538 ± 0.0003 Å
• b: 11.0108 ± 0.0003 Å
• c: 17.9484 ± 0.0005 Å
• α: 90°
• β: 102.132 ± 0.003°
• γ: 90°
• Cell volume: 1942.52 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9797
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes