Information card for entry 8101082

Structure parameters

• Formula: C8 H6 N2 O
• Calculated formula: C8 H6 N2 O
• SMILES: ON=C(C#N)c1ccccc1
• Title of publication: Refinement of the crystal structure of 2-hydroxyimino-2-phenylacetonitrile, C~8~H~6~N~2~O, at 173 K
• Authors of publication: Razzino, P.; Ward, A. D.; 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: 549 - 550
• a: 8.722 ± 0.002 Å
• b: 11.037 ± 0.005 Å
• c: 8.301 ± 0.004 Å
• α: 90°
• β: 115.95 ± 0.02°
• γ: 90°
• Cell volume: 718.6 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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