Information card for entry 7200741

Structure parameters

• Common name: 2-chloro-6-methylphenylthioamide
• Chemical name: 2-chloro-6-methylphenylthioamide
• Formula: C8 H8 Cl N S
• Calculated formula: C8 H8 Cl N S
• Title of publication: The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides
• Authors of publication: Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1658
• a: 14.367 ± 0.001 Å
• b: 8.022 ± 0.001 Å
• c: 16.068 ± 0.001 Å
• α: 90°
• β: 100.92 ± 0.001°
• γ: 90°
• Cell volume: 1818.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No