Information card for entry 2101331

Structure parameters

• Formula: C17 H27 Br N2 O7 S
• Calculated formula: C17 H27 Br N2 O7 S
• Title of publication: Conformation of the two potential antipsychotic agents (‒)-(<i>S</i>)-3-bromo-5,6-dimethoxy-<i>N</i>-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, FLB 457, and its 2-hydroxy analogue, FLB 463
• Authors of publication: Stensland, B.; Csöregh, I.; Högberg, T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 847 - 856
• a: 15.264 ± 0.005 Å
• b: 8.087 ± 0.004 Å
• c: 8.541 ± 0.003 Å
• α: 90°
• β: 93.44 ± 0.05°
• γ: 90°
• Cell volume: 1052.4 ± 0.7 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
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No