Information card for entry 2241190

Structure parameters

• Chemical name: <i>N</i>-[(4-Ethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
• Formula: C16 H22 N2 O2 S
• Calculated formula: C16 H22 N2 O2 S
• Title of publication: Crystal structure of <i>N</i>-[(4-ethoxyphenyl)carbamothioyl]cyclohexanecarboxamide
• Authors of publication: Vimala, G.; Haribabu, J.; Srividya, S.; Karvembu, R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o820 - o821
• a: 10.2273 ± 0.0007 Å
• b: 12.0946 ± 0.0007 Å
• c: 15.2099 ± 0.001 Å
• α: 70.792 ± 0.003°
• β: 89.1 ± 0.003°
• γ: 69.737 ± 0.003°
• Cell volume: 1656.42 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes