Information card for entry 2229686

Structure parameters

• Chemical name: 1-Cyclohexyl-3-{(<i>E</i>)-[1-(pyridin-2-yl)ethylidene]amino}thiourea
• Formula: C14 H20 N4 S
• Calculated formula: C14 H20 N4 S
• SMILES: S=C(NC1CCCCC1)N/N=C(\C)c1ncccc1
• Title of publication: 1-Cyclohexyl-3-{(<i>E</i>)-[1-(pyridin-2-yl)ethylidene]amino}thiourea
• Authors of publication: Salam, Md. Abdus; Affan, Md. Abu; Ahmad, Fasihuddin B.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o955
• a: 5.8824 ± 0.0006 Å
• b: 10.241 ± 0.0009 Å
• c: 12.3902 ± 0.0014 Å
• α: 94.718 ± 0.008°
• β: 90.427 ± 0.009°
• γ: 90.979 ± 0.008°
• Cell volume: 743.74 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0775
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes