Information card for entry 8101088

Structure parameters

• Formula: C7 H6 Br N O
• Calculated formula: C7 H6 Br N O
• SMILES: Brc1ccc(cc1)C=NO
• Title of publication: Crystal structure of anti-4-bromobenzaldehyde oxime, C~7~H~6~BrNO
• Authors of publication: Ward, A. D.; Ward, V. R.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 561 - 562
• a: 6.608 ± 0.002 Å
• b: 23.111 ± 0.01 Å
• c: 4.687 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 715.9 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No