Information card for entry 2001105

Structure parameters

• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: OCCn1c(=O)cnc(c1c1ccccc1)c1ccccc1
• Title of publication: Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones
• Authors of publication: Mori, Y.; Hayakawa, A.; Maeda, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 123 - 126
• a: 13.32 ± 0.004 Å
• b: 31.654 ± 0.015 Å
• c: 6.991 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2948 ± 2 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No