Information card for entry 7226226

Structure parameters

• Chemical name: anhydrous sibutramine hydrochloride enantiomer
• Formula: C17 H27 Cl2 N
• Calculated formula: C17 H27 Cl2 N
• SMILES: [Cl-].Clc1ccc(C2(CCC2)[C@@H]([NH+](C)C)CC(C)C)cc1
• Title of publication: Racemic compound and conglomerate of anhydrous sibutramine hydrochloride: a rare case of relative stability
• Authors of publication: Rosa, F.; Négrier, P.; Espeau, P.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 36
• Pages of publication: 6903
• a: 12.0282 ± 0.0019 Å
• b: 9.0364 ± 0.0015 Å
• c: 8.1578 ± 0.0011 Å
• α: 90°
• β: 90.601 ± 0.009°
• γ: 90°
• Cell volume: 886.6 ± 0.2 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No