Crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate

Krishnaswamy, G. and Suchetan, P. A. and Sreenivasa, S. and Naveen, S. and Lokanath, N. K. and Aruna Kumar, D. B. (2014) Crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate. Acta Crystallographica Section E: Structure Reports Online, 70 (12). pp. 541-543. ISSN 1600-5368

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In the title hydrate, C12H12O4·1.5H2O, one of the water molecules in the asymmetric unit is located on a twofold rotation axis. The molecule of the benzofuran derivative is essentially planar (r.m.s. deviation for the non-H atoms = 0.021à ), with the ester group adopting a fully extended conformation. In the crystal, O-H�O hydrogen bonds between the water molecules and the hydroxy groups generate a centrosymmetric R6 6(12) ring motif. These R6 6(12) rings are fused, forming a one-dimensional motif extending along the c-axis direction.

Item Type: Article
Subjects: D Physical Science > Physics
Divisions: Department of > Institution of Excellence
Department of > Physics
Depositing User: Arshiya Kousar
Date Deposited: 27 Jun 2019 06:52
Last Modified: 18 Dec 2019 11:11

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