Information card for entry 1100565

Structure parameters

• Formula: C17 H18 Br N O2 S
• Calculated formula: C17 H18 Br N O2 S
• SMILES: C[C@@H]1Cc2cc(C)ccc2N(C1)S(=O)(=O)c1ccc(cc1)Br
• a: 10.3868 ± 0.0008 Å
• b: 10.7916 ± 0.0007 Å
• c: 15.6284 ± 0.0013 Å
• α: 90°
• β: 106.176 ± 0.008°
• γ: 90°
• Cell volume: 1682.44 ų
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No