Information card for entry 2215920

Structure parameters

• Chemical name: (2Z)-2-Bromo-3-[3,5-dibromo-4-(ethylamino)phenyl]-1- (2,4-dichlorophenyl)prop-2-en-1-one
• Formula: C17 H12 Br3 Cl2 N O
• Calculated formula: C17 H12 Br3 Cl2 N O
• SMILES: BrC(=C\c1cc(Br)c(NCC)c(Br)c1)/C(=O)c1ccc(Cl)cc1Cl
• Title of publication: (2<i>Z</i>)-2-Bromo-3-[3,5-dibromo-4-(ethylamino)phenyl]-1-(2,4-dichlorophenyl)prop-2-en-1-one
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; 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: o4308 - o4309
• a: 9.7939 ± 0.0004 Å
• b: 9.7333 ± 0.0004 Å
• c: 19.4436 ± 0.0006 Å
• α: 90°
• β: 91.635 ± 0.003°
• γ: 90°
• Cell volume: 1852.74 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• 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: 0.2074
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1829
• Weighted residual factors for all reflections included in the refinement: 0.2746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes