Information card for entry 1503663

Structure parameters

• Formula: C22 H25 N3 O3
• Calculated formula: C22 H25 N3 O3
• SMILES: N1(C(=O)/C(=N\NC(=O)c2ccccc2)c2ccc(cc12)OC)CCCCCC
• Title of publication: 6-Methoxy-N-alkyl isatin acylhydrazone derivatives as a novel series of potent selective cannabinoid receptor 2 inverse agonists: design, synthesis, and binding mode prediction.
• Authors of publication: Diaz, Philippe; Phatak, Sharangdhar S.; Xu, Jijun; Astruc-Diaz, Fanny; Cavasotto, Claudio N.; Naguib, Mohamed
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2009
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 433 - 444
• a: 8.3877 ± 0.0002 Å
• b: 8.4043 ± 0.0002 Å
• c: 15.1821 ± 0.0004 Å
• α: 100.357 ± 0.001°
• β: 103.537 ± 0.001°
• γ: 101.37 ± 0.001°
• Cell volume: 991 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No