Information card for entry 8101468

Structure parameters

• Formula: C25 H25 Br N2 S
• Calculated formula: C24 H26 Br N3 S
• Title of publication: Crystal structure of N-(2-pyridyl)methyl-N-(3-thienyl)methyl-5,7-dihydrodibenzo [c,e]azepinium bromide, C25H25N2SBr
• Authors of publication: Alilou, El Houssine; El Hallaoui, Abdelilah; El Ghadraoui, El Houssine; Pierrot, Marcel; Regliér, Marius
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 2
• Pages of publication: 213 - 214
• a: 12.187 ± 0.005 Å
• b: 17.399 ± 0.004 Å
• c: 10.105 ± 0.002 Å
• α: 90 ± 0.02°
• β: 96.43 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 2129 ± 2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.175
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No