Information card for entry 7218812

Structure parameters

• Chemical name: N-Adamantan-1-yl-4-chloro-benzenesulfonamide
• Formula: C16 H20 Cl N O2 S
• Calculated formula: C16 H20 Cl N O2 S
• SMILES: S(=O)(=O)(NC12CC3CC(C1)CC(C2)C3)c1ccc(Cl)cc1
• Title of publication: Adamantane derivatives of sulfonamide molecular crystals: structure, sublimation thermodynamic characteristics, molecular packing, and hydrogen bond networks
• Authors of publication: Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Proshin, Alexey N.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 753
• a: 11.051 ± 0.0004 Å
• b: 6.4458 ± 0.0003 Å
• c: 21.466 ± 0.0008 Å
• α: 90°
• β: 102.427 ± 0.003°
• γ: 90°
• Cell volume: 1493.25 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No