Structures of Two Chalcones Derived from 1-(1,3-Benzodioxol-5-yl)ethanone

Jasinski, Jerry P. and Butcher, Ray J. and Sreevidya, T. V. and Yathirajan, H. S. and Narayana, B. (2008) Structures of Two Chalcones Derived from 1-(1,3-Benzodioxol-5-yl)ethanone. Analytical Sciences: X-ray Structure Analysis Online, 24. x245-x246. ISSN 1348-2238

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The compound, (2E)-1-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)prop-2-en-1-one (I), C16H11ClO3, crystallizes in the monoclinic crystal system with space group P21/c and cell constants: a = 22.7231(15), b = 4.9239(4), c = 11.9995(7)Å, β = 99.953(6)°, V = 1322.37(16)Å3, Z = 4. (2E)-1-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one (II), C18H16O5, crystallizes in the triclinic crystal system, space group P1 with a = 8.2961(2), b = 13.8829(6), c = 14.6713(7)Å, α = 64.185(4), β = 83.560(3). γ = 84.966(3)°, V = 1510.10(10)Å3, Z = 4. Hydrogen bonding and crystal packing effects influence the twist angle between the mean planes of the 1,3-benzodioxol-5-yl and benzene groups in both I and II, while π-π stacking interactions help to stabilize the crystal packing.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 04 Nov 2019 10:21
Last Modified: 04 Nov 2019 10:22

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