Structural analysis of chalcone derivative: 2‐{4‐[(2E)‐3‐(4‐fluorophenyl)prop‐2‐enoyl]phenoxy}acetic acid hydrate

Salam, Abdul Ajees Abdul (2017) Structural analysis of chalcone derivative: 2‐{4‐[(2E)‐3‐(4‐fluorophenyl)prop‐2‐enoyl]phenoxy}acetic acid hydrate. Chemical Data Collections, 9-10. pp. 61-67.

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Abstract

The crystal structure of the title compound has been determined from X-ray diffraction studies. The compound crystallizes from methanol in the monoclinic system with space group P21/c with unit cell parameters: a = 10.647 (8), b = 8.494 (6), c = 16.743 (12) Å, β = 92.731 (13)°, Z = 4, V = 1512.4(19) Å3. The structure was determined by direct methods and refined to a final R-factor of 0.06. The two six-membered rings, A and B are planar with RMS deviation of fitted atoms is 0.0041 Å and the structure is stabilized by strong Osingle bondH..O, weak Csingle bondH…O, and Csingle bondH…F interactions.

Item Type: Article
Uncontrolled Keywords: Chalcones; Single crystals; X-ray diffraction; NLO materials.
Subjects: Departments at MU > Atomic Molecular Physics
Depositing User: KMC Library
Date Deposited: 12 Jun 2017 04:11
Last Modified: 12 Jun 2017 04:11
URI: http://eprints.manipal.edu/id/eprint/149034

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