Crystal structure of ethyl (6-hy-droxy-1-benzo-furan-3-yl)acetate sesquihydrate.

G Krishnaswamy, P A Suchetan, S Sreenivasa, S Naveen, N K Lokanath, D B Aruna Kumar

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Article in Acta crystallographica. Section E, Structure reports online, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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6 authors.

G KrishnaswamyDepartment of Studies and Research in Chemistry, Tumkur University, Tumkur 572 103, India.

P A SuchetanDepartment of Studies and Research in Chemistry, Tumkur University, Tumkur 572 103, India.

S SreenivasaDepartment of Studies and Research in Chemistry, Tumkur University, Tumkur 572 103, India.

S NaveenInstitution of Excellence, Vijnana Bhavan, University of Mysore, Manasagangotri, Mysore 570 006, India.

N K LokanathDepartment of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, India.

D B Aruna KumarDepartment of Studies and Research in Chemistry, Tumkur University, Tumkur 572 103, India.

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6 · The paper itself

Abstract

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

Indexed as

benzofuranC—H⋯π interactionscrystal structurehydratesO—H⋯O hydrogen bonds

Identifiers

PMID25552987

DOI10.1107/S1600536814024349

PMCPMC4257409

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