Information card for entry 7056109

Structure parameters

• Common name: Bromo chalcone
• Chemical name: (E)-3-(4-(bis(2-chloroethyl)amino)phenyl)-1-(4-bromophenyl)prop-2-en-1-one
• Formula: C19 H18 Br Cl2 N O
• Calculated formula: C18.99 H17.98 Br Cl2 N O
• Title of publication: Design and in vitro biological evaluation of substituted chalcones synthesized from Nitrogen mustards as potent microtubule targeted anticancer agents
• Authors of publication: Xavier, Janet Sabina; Karthikeyan, J.; Velmurugan, Gunasekaran; Manoharan, Muthu Tamizh; Shetty, A. Nityananda
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 4096 - 4109
• a: 8.099 ± 0.0002 Å
• b: 9.3548 ± 0.0002 Å
• c: 12.8639 ± 0.0004 Å
• α: 75.6264 ± 0.0012°
• β: 79.1564 ± 0.0013°
• γ: 79.016 ± 0.0013°
• Cell volume: 916.6 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No