Information card for entry 2227466

Structure parameters

• Chemical name: 7-Chloro-1,2-dihydrofuro[2,3-<i>c</i>]isoquinolin-5-amine
• Formula: C11 H9 Cl N2 O
• Calculated formula: C11 H9 Cl N2 O
• SMILES: Clc1ccc2c3c(OCC3)nc(N)c2c1
• Title of publication: 7-Chloro-1,2-dihydrofuro[2,3-<i>c</i>]isoquinolin-5-amine
• Authors of publication: Okuda, Kensuke; Hirota, Takashi; Sasaki, Kenji; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2949
• a: 7.2948 ± 0.0006 Å
• b: 12.0703 ± 0.0011 Å
• c: 10.8869 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 958.6 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes