Information card for entry 2104870

Structure parameters

• Chemical name: 3-(Methylamino-phenyl-methylene)chroman-2,4-dione
• Formula: C17 H13 N O3
• Calculated formula: C17 H13 N O3
• Title of publication: Electron density studies on hydrogen bonding in two chromone derivatives
• Authors of publication: Małecka, Magdalena; Checińska, Lilianna; Rybarczyk-Pirek, Agnieszka; Morgenroth, Wolfgang; Paulmann, Carsten
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: 687 - 695
• a: 9.292 ± 0.002 Å
• b: 14.145 ± 0.002 Å
• c: 11.012 ± 0.002 Å
• α: 90°
• β: 110.576 ± 0.003°
• γ: 90°
• Cell volume: 1355 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.027
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.053
• RFsqd: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 2.985
• Diffraction radiation wavelength: 0.6 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes