Information card for entry 8100045

Structure parameters

• Formula: C12 H12 N2 O2
• Calculated formula: C12 H12 N2 O2
• SMILES: N1=C(OCC1)c1cc(ccc1)C1=NCCO1
• Title of publication: Crystal structure of 1,3-di[2-(4,5-dihydrooxazole)]benzene, C~12~H~12~N~2~O~2~
• Authors of publication: Chen, Sheng-Hui; Li, Sheng-Fang; Zou, Ying; Yang, Li; Chen, Bo; Zhu, Hai-Liang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 153 - 154
• a: 7.033 ± 0.004 Å
• b: 14.768 ± 0.009 Å
• c: 10.377 ± 0.006 Å
• α: 90°
• β: 96.026 ± 0.009°
• γ: 90°
• Cell volume: 1071.8 ± 1.1 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