Information card for entry 2010866

Structure parameters

• Chemical name: N-Isopropyl-N-{(E)-2-phenyl-propenyl}-thiobenzamide
• Formula: C19 H21 N S
• Calculated formula: C19 H21 N S
• SMILES: S=C(N(C(C)C)/C=C(C)/c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-Isopropyl-<i>N</i>-[(<i>E</i>)-2-phenylpropenyl]thiobenzamide and <i>N</i>-isopropyl-3-methoxy-<i>N</i>-[(<i>E</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: e152 - e153
• a: 17.479 ± 0.003 Å
• b: 9.1 ± 0.002 Å
• c: 21.494 ± 0.003 Å
• α: 90°
• β: 101.94 ± 0.01°
• γ: 90°
• Cell volume: 3344.8 ± 1.1 ų
• Cell temperature: 248 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes