Information card for entry 2235779

Structure parameters

• Chemical name: <i>N</i>-[2-(Methylsulfanyl)phenyl]-2-sulfanylbenzamide
• Formula: C14 H13 N O S2
• Calculated formula: C14 H13 N O S2
• SMILES: S(c1c(cccc1)NC(=O)c1c(S)cccc1)C
• Title of publication: <i>N</i>-[2-(Methylsulfanyl)phenyl]-2-sulfanylbenzamide
• Authors of publication: Hsieh, Chang-Chih; Lee, Hon Man; Horng, Yih-Chern
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2400
• a: 7.9549 ± 0.0005 Å
• b: 22.753 ± 0.0014 Å
• c: 8.0966 ± 0.0005 Å
• α: 90°
• β: 118.787 ± 0.001°
• γ: 90°
• Cell volume: 1284.36 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes