Information card for entry 2010868

Structure parameters

• Chemical name: N-Methyl-N-{(Z)-2-phenyl-propenyl}-thiobenzamide
• Formula: C17 H17 N S
• Calculated formula: C17 H17 N S
• SMILES: S=C(N(C)\C=C(\C)c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-Methyl-<i>N</i>-[(<i>Z</i>)-2-phenylpropenyl]thiobenzamide
• Authors of publication: Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: e154 - e154
• a: 10.057 ± 0.003 Å
• b: 8.344 ± 0.003 Å
• c: 17.962 ± 0.004 Å
• α: 90°
• β: 100.13 ± 0.02°
• γ: 90°
• Cell volume: 1483.8 ± 0.8 ų
• Cell temperature: 298 ± 1 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 significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes