Information card for entry 2014432

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: 5.882 ± 0.001 Å
• b: 19.694 ± 0.001 Å
• c: 7.491 ± 0.0001 Å
• α: 90°
• β: 91.715 ± 0.01°
• γ: 90°
• Cell volume: 867.37 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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