Information card for entry 8107705

Structure parameters

• Formula: C14 H10 Br N S
• Calculated formula: C14 H10 Br N S
• Title of publication: Crystal structure of 3-((4-bromophenyl)thio)-1H-indole, C14H10BrNS
• Authors of publication: Wang, Ning; Guo, Ya-Fei; Ma, Jun-Ying; Liu, Ming-Ming; Qu, Yu-Long
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1211 - 1213
• a: 5.6392 ± 0.0002 Å
• b: 7.793 ± 0.0003 Å
• c: 28.2476 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1241.38 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No