Information card for entry 2009726

Structure parameters

• Formula: C19 H15 Cl N4 O2
• Calculated formula: C19 H15 Cl N4 O2
• SMILES: O/N=C\NC1=C(CCc2c1cccc2)c1onc(n1)c1ccc(cc1)Cl
• 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: 11.661 ± 0.002 Å
• b: 9.41 ± 0.002 Å
• c: 16.224 ± 0.003 Å
• α: 90°
• β: 103.42 ± 0.01°
• γ: 90°
• Cell volume: 1731.6 ± 0.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No