Information card for entry 7215035

Structure parameters

• Common name: 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4- dihydrocarbostyril)
• Chemical name: 7-[4-[4-(2,3-dichlorophenyl)-1-piperazinyl]butoxy]- 3,4-dihydrocarbostyril]
• Formula: C23 H27 Cl2 N3 O2
• Calculated formula: C23 H27 Cl2 N3 O2
• SMILES: c1(c(c(ccc1)N1CCN(CC1)CCCCOc1ccc2c(c1)NC(=O)CC2)Cl)Cl
• Title of publication: Sixth polymorph of aripiprazole - an antipsychotic drug
• Authors of publication: Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Babu, V. S. Phani; Jagadeesh, Bharatham; Ravikumar, Krishnan
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4677
• a: 12.2626 ± 0.0007 Å
• b: 13.7872 ± 0.0008 Å
• c: 14.7405 ± 0.0009 Å
• α: 101.396 ± 0.001°
• β: 108.921 ± 0.001°
• γ: 98.847 ± 0.001°
• Cell volume: 2246.3 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No