Information card for entry 8102151

Structure parameters

• Chemical name: N,N'-(1,6-hexamethylene)-bis-benzoylthiourea
• Formula: C22 H26 N4 O2 S2
• Calculated formula: C22 H26 N4 O2 S2
• Title of publication: Crystal structure of N,N'-(1,6-hexamethylene)bis(benzoylthiourea), C~22~H~26~N~4~O~2~S~2~
• Authors of publication: Dong, Wen-Kui; Yang, Xiao-Qing; Xu, Li; Wang, Li; Liu, Gai-Lan; Feng, Jian-Hua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 279 - 280
• a: 4.912 ± 0.002 Å
• b: 10.048 ± 0.002 Å
• c: 11.302 ± 0.003 Å
• α: 96.251 ± 0.003°
• β: 98.113 ± 0.003°
• γ: 90.118 ± 0.002°
• Cell volume: 548.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No