Information card for entry 7154412

Structure parameters

• Formula: C16 H17 N3 O2 S
• Calculated formula: C16 H17 N3 O2 S
• Title of publication: 1,5-Benzodiazepine derivatives as potential antimicrobial agents: design, synthesis, biological evaluation, and structure-activity relationships.
• Authors of publication: Wang, Lan-Zhi; Li, Xiao-Qing; An, Ying-Shuang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5497 - 5509
• a: 7.9805 ± 0.0007 Å
• b: 23.492 ± 0.002 Å
• c: 9.3323 ± 0.0008 Å
• α: 90°
• β: 112.494 ± 0.002°
• γ: 90°
• Cell volume: 1616.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No