Information card for entry 7222831

Structure parameters

• Formula: C18 H20 Cl2 N2 O4
• Calculated formula: C18 H20 Cl2 N2 O4
• SMILES: Clc1ccc2c(Nc3cc(OC)c(OC)c(OC)c3)ccnc2c1.Cl.O
• Title of publication: The interaction of (7-chloroquinolin-4-yl)-(2,5-dimethoxyphenyl)-amine hydrochloride dihydrate with serum albumin proteins, inputs from spectroscopic, molecular docking and X-ray diffraction studies
• Authors of publication: Singh, Shailja; Sharma, Kumkum; Awasthi, Satish K.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 104
• Pages of publication: 85854
• a: 7.3283 ± 0.0004 Å
• b: 9.6448 ± 0.0006 Å
• c: 13.9704 ± 0.0008 Å
• α: 83.013 ± 0.005°
• β: 81.025 ± 0.005°
• γ: 79.065 ± 0.005°
• Cell volume: 953.31 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No