Information card for entry 2014433

Structure parameters

• Formula: C10 H7 N O3
• Calculated formula: C10 H7 N O3
• SMILES: o1c(nc2ccccc12)/C=C\C(=O)O
• Title of publication: The E and Z isomers of 3-(benzoxazol-2-yl)prop-2-enoic acid
• Authors of publication: Trujillo-Ferrara, Jose G.; Padilla-Martínez, Itzia I.; Martínez-Martínez, Francisco J.; Höpfl, Herbert; Farfan-García, Norberto; García-Báez, Efrén V.
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o722 - o726
• a: 9.8191 ± 0.0019 Å
• b: 9.905 ± 0.002 Å
• c: 18.32 ± 0.004 Å
• α: 90°
• β: 94.037 ± 0.004°
• γ: 90°
• Cell volume: 1777.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No