Crystal Structure Determination and Biological Activity of C{sub 20}H{sub 20}O{sub 6} and C{sub 19}H{sub 16}O{sub 6}Br{sub 2}
- Physics Department, Ain Shams University, Cairo (Egypt)
- National Research Center, Cairo (Egypt)
Crystal structures for methyl 2-(3-(3,4-dimethoxyphenyl)-1-1oxopropan-2-yl) benzoate (C{sub 20}H{sub 20}O{sub 6}) and methyl 4-bromo-3-(2-bromo-4,5-dimethoxyphenyl)-1-oxoisochroman-4-carboxylate (C{sub 19}H{sub 16}O{sub 6}Br{sub 2}) were prepared and characterized by single-crystal x-ray diffraction technique to establish their three-dimensional structures. Both were crystallized from acetone by a slow evaporation method. The results showed that the first crystal (C{sub 20}H{sub 20}O{sub 6}) is monoclinic with space group P2{sub 1}, lattice parameters a = 7.8839(4)A, b = 8.1087(4)A, c = 14.4840(10)A, {beta} = 97.447(2) deg., V = 918.13 (9)A{sup 3}, Z = 2, and D{sub x} = 1.289 g/m{sup 3}. The final discrepancy factor is R = 0.034 for 2,917 significant reflections. The second crystal (C{sub 19}H{sub 16}O{sub 6}Br{sub 2}) is monoclinic with space group P2{sub 1}/c, lattice parameters 20.1043 (7)A, b = 8.7046(2)A, c 11.0497(3)A, {beta} = 97.0923(11) deg., V = 1918.90 (10)A{sup 3}, Z = 4, and D{sub x} = 1.690 g/m{sup 3}. The final discrepancy factor is R = 0.064 for 9,619 significant reflections. Projection of structure, connectivity of the molecule in the unit cell, coordinates of each atom in the structure, biological activity, and discussion are presented in our paper.
- OSTI ID:
- 21301135
- Journal Information:
- AIP Conference Proceedings, Vol. 1119, Issue 1; Conference: 3. IUPAP international conference on women in physics, Seoul (Korea, Republic of), 8-10 Oct 2008; Other Information: DOI: 10.1063/1.3137860; (c) 2009 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
- Country of Publication:
- United States
- Language:
- English
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