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

In the title hydrate, C(12)H(12)O(4)·1.5H(2)O, 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 = 0.021 Å), with the ester group adopting a fully extended...

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Autores principales: Krishnaswamy, G., Suchetan, P. A., Sreenivasa, S., Naveen, S., Lokanath, N. K., Aruna Kumar, D. B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257409/
https://www.ncbi.nlm.nih.gov/pubmed/25552987
http://dx.doi.org/10.1107/S1600536814024349
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author Krishnaswamy, G.
Suchetan, P. A.
Sreenivasa, S.
Naveen, S.
Lokanath, N. K.
Aruna Kumar, D. B.
author_facet Krishnaswamy, G.
Suchetan, P. A.
Sreenivasa, S.
Naveen, S.
Lokanath, N. K.
Aruna Kumar, D. B.
author_sort Krishnaswamy, G.
collection PubMed
description In the title hydrate, C(12)H(12)O(4)·1.5H(2)O, 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 = 0.021 Å), 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 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.
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spelling pubmed-42574092014-12-31 Crystal structure of ethyl (6-hy­droxy-1-benzo­furan-3-yl)acetate sesquihydrate Krishnaswamy, G. Suchetan, P. A. Sreenivasa, S. Naveen, S. Lokanath, N. K. Aruna Kumar, D. B. Acta Crystallogr Sect E Struct Rep Online Research Communications In the title hydrate, C(12)H(12)O(4)·1.5H(2)O, 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 = 0.021 Å), 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 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. International Union of Crystallography 2014-11-21 /pmc/articles/PMC4257409/ /pubmed/25552987 http://dx.doi.org/10.1107/S1600536814024349 Text en © Krishnaswamy et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Krishnaswamy, G.
Suchetan, P. A.
Sreenivasa, S.
Naveen, S.
Lokanath, N. K.
Aruna Kumar, D. B.
Crystal structure of ethyl (6-hy­droxy-1-benzo­furan-3-yl)acetate sesquihydrate
title Crystal structure of ethyl (6-hy­droxy-1-benzo­furan-3-yl)acetate sesquihydrate
title_full Crystal structure of ethyl (6-hy­droxy-1-benzo­furan-3-yl)acetate sesquihydrate
title_fullStr Crystal structure of ethyl (6-hy­droxy-1-benzo­furan-3-yl)acetate sesquihydrate
title_full_unstemmed Crystal structure of ethyl (6-hy­droxy-1-benzo­furan-3-yl)acetate sesquihydrate
title_short Crystal structure of ethyl (6-hy­droxy-1-benzo­furan-3-yl)acetate sesquihydrate
title_sort crystal structure of ethyl (6-hy­droxy-1-benzo­furan-3-yl)acetate sesquihydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257409/
https://www.ncbi.nlm.nih.gov/pubmed/25552987
http://dx.doi.org/10.1107/S1600536814024349
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