Information card for entry 2223368

Structure parameters

• Chemical name: 10-Methoxybenzo[<i>g</i>]imidazo[1,2-<i>a</i>][1,8]naphthyridine-4-carbonitrile
• Formula: C16 H10 N4 O
• Calculated formula: C16 H10 N4 O
• SMILES: COc1cccc2c1nc1c(c2)cc(c2n1ccn2)C#N
• Title of publication: 10-Methoxybenzo[<i>g</i>]imidazo[1,2-<i>a</i>][1,8]naphthyridine-4-carbonitrile
• Authors of publication: Tarasov, Andrii V.; Volovnenko, Tatyana A.; Lugan, Noël; Volovenko, Yulian M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2524 - o2525
• a: 7.71 ± 0.002 Å
• b: 11.97 ± 0.002 Å
• c: 13.34 ± 0.003 Å
• α: 90°
• β: 93.55 ± 0.03°
• γ: 90°
• Cell volume: 1228.8 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes