Information card for entry 2015323

Structure parameters

• Chemical name: 4-[2-(dipropylamino)ethyl]-2,3-dihydro-1H-indol-2-ol hydrochloride
• Formula: C16 H25 Cl N2 O
• Calculated formula: C16 H25 Cl N2 O
• SMILES: C1(=O)Cc2c(cccc2N1)CC[NH+](CCC)CCC.[Cl-]
• Title of publication: Ropinirole hydrochloride, a dopamine agonist
• Authors of publication: Krishnan Ravikumar; Balasubramanian Sridhar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o265 - o267
• a: 7.5388 ± 0.0011 Å
• b: 8.9545 ± 0.0013 Å
• c: 12.1647 ± 0.0018 Å
• α: 80.005 ± 0.002°
• β: 85.968 ± 0.002°
• γ: 83.504 ± 0.002°
• Cell volume: 802.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes