Information card for entry 2001886

Structure parameters

• Formula: C14 H12 Cl N O2 S
• Calculated formula: C14 H12 Cl N O2 S
• SMILES: Clc1ccc(cc1)N1Cc2ccccc2CS1(=O)=O
• Title of publication: Structure of 3-(<i>p</i>-chlorophenyl)-3,4-dihydro-1<i>H</i>-2,3-benzothiazine 2,2-dioxide
• Authors of publication: Rivero, B. E.; Bianchet, M. A.; Bravo, R. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 544 - 546
• a: 11.269 ± 0.003 Å
• b: 14.095 ± 0.005 Å
• c: 8.508 ± 0.005 Å
• α: 90°
• β: 100.01 ± 0.06°
• γ: 90°
• Cell volume: 1330.8 ± 1 ų
• 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
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No