Information card for entry 7218815

Structure parameters

• Chemical name: N-(3,5-Dimethyl-adamantan-1-yl)-benzenesulfonamide
• Formula: C18 H25 N O2 S
• Calculated formula: C18 H25 N O2 S
• SMILES: S(=O)(=O)(NC12C[C@]3(C[C@@](C1)(CC(C2)C3)C)C)c1ccccc1
• 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: 9.33501 ± 0.00018 Å
• b: 11.577 ± 0.0002 Å
• c: 15.7703 ± 0.0003 Å
• α: 90°
• β: 100.587 ± 0.0018°
• γ: 90°
• Cell volume: 1675.31 ± 0.05 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0481
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No