Information card for entry 8101157

Structure parameters

• Formula: C12 H8 Br2 O4
• Calculated formula: C12 H8 Br2 O4
• SMILES: BrC(Br)C(=O)C1=Cc2cccc(c2OC1=O)OC
• Title of publication: Crystal structure of 8-methoxy-3-dibromoacetylcoumarin, C~12~H~8~Br~2~O~4~
• Authors of publication: Kokila, M. K.; Puttaraja; Nethaji, M.; Kulkarni, M. V.; Shivaprakash, N. C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 69 - 70
• a: 11.546 ± 0.002 Å
• b: 6.885 ± 0.004 Å
• c: 15.949 ± 0.003 Å
• α: 90°
• β: 101.75 ± 0.02°
• γ: 90°
• Cell volume: 1241.3 ± 0.8 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No