Information card for entry 7218811

Structure parameters

• Chemical name: N-Adamantan-1-yl-benzenesulfonamide
• Formula: C16 H21 N O2 S
• Calculated formula: C16 H21 N O2 S
• SMILES: S(=O)(=O)(NC12CC3CC(C1)CC(C2)C3)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: 11.977 ± 0.001 Å
• b: 10.516 ± 0.001 Å
• c: 11.29 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1422 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No