Information card for entry 2004468

Structure parameters

• Formula: C11 H11 N3 S
• Calculated formula: C11 H11 N3 S
• SMILES: Cc1ccc2c(n1)c1CCSc1nc2N
• Title of publication: 5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines
• Authors of publication: Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 372 - 375
• a: 10.04 ± 0.01 Å
• b: 9.572 ± 0.004 Å
• c: 10.68 ± 0.005 Å
• α: 90°
• β: 98.16 ± 0.06°
• γ: 90°
• Cell volume: 1016 ± 1.2 ų
• Cell temperature: 296 K
• Number of distinct elements: 4
• 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: 0.038
• Weighted residual factors for significantly intense reflections: 0.031
• Goodness-of-fit parameter for significantly intense reflections: 1.49
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No