Information card for entry 1504345

Structure parameters

• Formula: C21 H23 N3 O2
• Calculated formula: C21 H23 N3 O2
• SMILES: C1(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc2N1CCCCCC
• Title of publication: Design and synthesis of a novel series of N-alkyl isatin acylhydrazone derivatives that act as selective cannabinoid receptor 2 agonists for the treatment of neuropathic pain.
• Authors of publication: Diaz, Philippe; Xu, Jijun; Astruc-Diaz, Fanny; Pan, Hao-Min; Brown, David L.; Naguib, Mohamed
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2008
• Journal volume: 51
• Journal issue: 16
• Pages of publication: 4932 - 4947
• a: 7.9246 ± 0.0004 Å
• b: 8.7859 ± 0.0008 Å
• c: 28.0323 ± 0.0012 Å
• α: 87.074 ± 0.001°
• β: 85.771 ± 0.001°
• γ: 73.203 ± 0.001°
• Cell volume: 1862.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No