Information card for entry 5000124

Structure parameters

• Formula: C14 H22 Cl2 N O1.5
• Calculated formula: C17 H31 Cl2 N O3
• Title of publication: Conformational Analysis and a Crystal Structure of Bupropion, an Antidepressant with Dopamine Reuptake Blocking Activity
• Authors of publication: Froimowitz, M.; George, C.
• Journal of publication: Journal of Chemical Information and Modeling
• Year of publication: 1998
• Journal volume: 38
• Journal issue: 3
• Pages of publication: 506 - 510
• a: 7.571 ± 0.001 Å
• b: 9.31 ± 0.001 Å
• c: 11.687 ± 0.001 Å
• α: 94.58 ± 0.01°
• β: 101.49 ± 0.01°
• γ: 90.15 ± 0.01°
• Cell volume: 804.54 ų
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No