Information card for entry 2311614

Structure parameters

• Chemical name: 2-(3-Benzylamino-2-oxo-1,2-dihydropyridin-1-yl)-<i>N</i>-(3,4-dichlorobenzyl)acetamide
• Formula: C21 H19 Cl2 N3 O2
• Calculated formula: C21 H19 Cl2 N3 O2
• SMILES: Clc1ccc(CNC(=O)Cn2c(=O)c(NCc3ccccc3)ccc2)cc1Cl
• Title of publication: The glycogen phosphorylase inhibitor 2-(3-benzylamino-2-oxo-1,2-dihydropyridin-1-yl)-N-(3,4-dichlorobenzyl)acetamide.
• Authors of publication: Popova, Inessa; Healy, Peter C.; Loughlin, Wendy A.; Karis, N. David; Jenkins, Ian D.
• Journal of publication: Acta crystallographica. Section C, Crystal structure communications
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 11
• Pages of publication: 1408 - 1410
• a: 18.9215 ± 0.0008 Å
• b: 11.5507 ± 0.0005 Å
• c: 8.9392 ± 0.0003 Å
• α: 90°
• β: 93.874 ± 0.003°
• γ: 90°
• Cell volume: 1949.26 ± 0.14 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No