Information card for entry 2009725

Structure parameters

• Formula: C14 H14 N4 O2
• Calculated formula: C14 H14 N4 O2
• SMILES: O/N=C\NC1=C(CCc2c1cccc2)c1onc(n1)C
• Title of publication: Anomalous products formed from <i>N</i>-(5,6-dihydrobenzo[<i>h</i>]quinazolin-4-yl)amidines and hydroxylamine hydrochloride
• Authors of publication: Hirota, T.; Sasaki, K.; Yamamoto, H.; Mori, K.; Kashino, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 807 - 810
• a: 8.246 ± 0.006 Å
• b: 11.016 ± 0.003 Å
• c: 14.74 ± 0.004 Å
• α: 90°
• β: 96.84 ± 0.04°
• γ: 90°
• Cell volume: 1329.4 ± 1.1 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.031
• Goodness-of-fit parameter for significantly intense reflections: 1.43
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No