Information card for entry 2215722

Structure parameters

• Chemical name: (2E)-1-(2,4-Dichlorophenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]prop-2-en-1-one
• Formula: C19 H19 Cl2 N O2
• Calculated formula: C19 H19 Cl2 N O2
• SMILES: Clc1c(ccc(Cl)c1)C(=O)/C=C/c1c(O)cc(N(CC)CC)cc1
• Title of publication: (2<i>E</i>)-1-(2,4-Dichlorophenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]prop-2-en-1-one
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Mayekar, Anil N.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4231 - o4232
• a: 10.6129 ± 0.0005 Å
• b: 13.957 ± 0.0007 Å
• c: 12.6858 ± 0.0006 Å
• α: 90°
• β: 106.012 ± 0.005°
• γ: 90°
• Cell volume: 1806.17 ± 0.16 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.1835
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes