Information card for entry 2239256

Structure parameters

• Chemical name: 2-[4-(Piperidin-1-yl)-5<i>H</i>-chromeno[2,3-<i>d</i>]pyrimidin-2-yl]phenol
• Formula: C22 H21 N3 O2
• Calculated formula: C22 H21 N3 O2
• Title of publication: 2-[4-(Piperidin-1-yl)-5<i>H</i>-chromeno[2,3-<i>d</i>]pyrimidin-2-yl]phenol
• Authors of publication: Sharma, Naresh; Brahmachari, Goutam; Das, Suvankar; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o447 - o448
• a: 9.9826 ± 0.0005 Å
• b: 15.8773 ± 0.0007 Å
• c: 12.2197 ± 0.0006 Å
• α: 90°
• β: 109.381 ± 0.006°
• γ: 90°
• Cell volume: 1827.03 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1283
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes