Crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate
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 = 0.021 Å), with the ester group adopting a fully extended conformatio...
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International Union of Crystallography
2014-12-01
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| Series: | Acta Crystallographica Section E |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814024349 |
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doaj-4045618f71d546779a31141044dcff812020-11-25T02:40:28ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-12-01701254154310.1107/S1600536814024349gk2620Crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrateG. Krishnaswamy0P. A. Suchetan1S. Sreenivasa2S. Naveen3N. K. Lokanath4D. B. Aruna Kumar5Department of Studies and Research in Chemistry, Tumkur University, Tumkur 572 103, IndiaDepartment of Studies and Research in Chemistry, Tumkur University, Tumkur 572 103, IndiaDepartment of Studies and Research in Chemistry, Tumkur University, Tumkur 572 103, IndiaInstitution of Excellence, Vijnana Bhavan, University of Mysore, Manasagangotri, Mysore 570 006, IndiaDepartment of Studies in Physics, University of Mysore, Manasagangotri, Mysore 570 006, IndiaDepartment of Studies and Research in Chemistry, Tumkur University, Tumkur 572 103, IndiaIn 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 = 0.021 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 R66(12) ring motif. These R66(12) rings are fused, forming a one-dimensional motif extending along the c-axis direction.http://scripts.iucr.org/cgi-bin/paper?S1600536814024349crystal structurehydratesO—H...O hydrogen bondsC—H...π interactionsbenzofuran |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
G. Krishnaswamy P. A. Suchetan S. Sreenivasa S. Naveen N. K. Lokanath D. B. Aruna Kumar |
| spellingShingle |
G. Krishnaswamy P. A. Suchetan S. Sreenivasa S. Naveen N. K. Lokanath D. B. Aruna Kumar Crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate Acta Crystallographica Section E crystal structure hydrates O—H...O hydrogen bonds C—H...π interactions benzofuran |
| author_facet |
G. Krishnaswamy P. A. Suchetan S. Sreenivasa S. Naveen N. K. Lokanath D. B. Aruna Kumar |
| author_sort |
G. Krishnaswamy |
| title |
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_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_sort |
crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2014-12-01 |
| description |
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 = 0.021 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 R66(12) ring motif. These R66(12) rings are fused, forming a one-dimensional motif extending along the c-axis direction. |
| topic |
crystal structure hydrates O—H...O hydrogen bonds C—H...π interactions benzofuran |
| url |
http://scripts.iucr.org/cgi-bin/paper?S1600536814024349 |
| work_keys_str_mv |
AT gkrishnaswamy crystalstructureofethyl6hydroxy1benzofuran3ylacetatesesquihydrate AT pasuchetan crystalstructureofethyl6hydroxy1benzofuran3ylacetatesesquihydrate AT ssreenivasa crystalstructureofethyl6hydroxy1benzofuran3ylacetatesesquihydrate AT snaveen crystalstructureofethyl6hydroxy1benzofuran3ylacetatesesquihydrate AT nklokanath crystalstructureofethyl6hydroxy1benzofuran3ylacetatesesquihydrate AT dbarunakumar crystalstructureofethyl6hydroxy1benzofuran3ylacetatesesquihydrate |
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1724781528176656384 |