Information card for entry 2012589

Structure parameters

• Chemical name: N-(2,3-Dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-1,3-dione
• Formula: C15 H9 Cl2 N O2
• Calculated formula: C15 H9 Cl2 N O2
• SMILES: Clc1c(N2C(=O)Cc3ccccc3C2=O)cccc1Cl
• Title of publication: Three tetrahydroisoquinolinedione derivatives
• Authors of publication: Subbiah Pandi, A.; Rajakannan, V.; Velmurugan, D.; Parvez, Masood; Kim, Moon-Jib; Senthilvelan, A.; Narasinga Rao, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o164 - o167
• a: 15.6702 ± 0.0008 Å
• b: 6.156 ± 0.0005 Å
• c: 14.5889 ± 0.0007 Å
• α: 90°
• β: 112.236 ± 0.004°
• γ: 90°
• Cell volume: 1302.67 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.05
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes