Information card for entry 7235537

Structure parameters

• Common name: pyranone carboxamide
• Chemical name: N-(3-hydroxypropyl)-2-oxo-6-phenyl-4-(piperidin-1-yl)-2H-pyran-3-carboxamide
• Formula: C20 H24 N2 O4
• Calculated formula: C20.012 H22.648 N2 O4
• Title of publication: Anti-HSV activity and mode of action study of α-pyrone carboxamides
• Authors of publication: Karampuri, Srinivas; Ojha, Durbadal; Bag, Paromita; Chakravarty, Harapriya; Bal, Chandralata; Chattopadhyay, Debprasad; Sharon, Ashoke
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 33
• Pages of publication: 17354
• a: 8.0084 ± 0.0005 Å
• b: 11.0499 ± 0.0007 Å
• c: 11.0645 ± 0.0007 Å
• α: 70.326 ± 0.005°
• β: 80.844 ± 0.005°
• γ: 71.336 ± 0.006°
• Cell volume: 872.03 ± 0.1 ų
• Cell temperature: 99.2 ± 0.2 K
• Ambient diffraction temperature: 99.9 ± 0.2 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: 0.0509
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No