Information card for entry 2000552

Structure parameters

• Formula: C12 H17 Cl N2 O3 S
• Calculated formula: C12 H17 Cl N2 O3 S
• SMILES: CN(S(=O)(=O)c1ccc(cc1)Cl)C(=O)NC(C)(C)C
• Title of publication: Structure of 3-<i>tert</i>-butyl-1-[(4-chlorophenyl)sulfonyl]-1-methylurea
• Authors of publication: Ghosh, M.; Das, A. K.; Mazumdar, S. K.; Bocelli, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1862 - 1864
• a: 13.075 ± 0.002 Å
• b: 13.284 ± 0.003 Å
• c: 9.924 ± 0.002 Å
• α: 103.68 ± 0.03°
• β: 95.28 ± 0.03°
• γ: 66.34 ± 0.04°
• Cell volume: 1534 ± 0.7 ų
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No