Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate
The title compound, C10H10N4O3, was synthesized by the esterification of hydroxyphenyl tetrazole. There is an intramolecular O—H...N hydrogen bond present involving the hydroxy group and the tetrazole ring. The tetrazole ring is inclined to the phenol ring by 2.85 (13)°, while the methyl acetate gro...
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doaj-e66da54535924c668d460d063a5c15792020-11-24T20:46:40ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902017-12-0173121971197310.1107/S205698901701698Xsu5409Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetateSeul Gi Lee0Ji Yeon Ryu1Junseong Lee2Department of Chemistry, Chonnam National University, Gwangju, 61186, Republic of KoreaDepartment of Chemistry, Chonnam National University, Gwangju, 61186, Republic of KoreaDepartment of Chemistry, Chonnam National University, Gwangju, 61186, Republic of KoreaThe title compound, C10H10N4O3, was synthesized by the esterification of hydroxyphenyl tetrazole. There is an intramolecular O—H...N hydrogen bond present involving the hydroxy group and the tetrazole ring. The tetrazole ring is inclined to the phenol ring by 2.85 (13)°, while the methyl acetate group is almost normal to the tetrazole ring, making a dihedral angle of 82.61 (14)°. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers. Within the dimers, the phenol rings are linked by offset π–π interactions [intercentroid distance = 3.759 (2) Å]. There are no further significant intermolecular interactions present in the crystal. The hydroxy group is disordered about positions 2 and 6 on the benzene ring, with a refined occupancy ratio of 0.531 (5):0.469 (5).http://scripts.iucr.org/cgi-bin/paper?S205698901701698Xcrystal structuretetrazolehydroxyphenyl tetrazolehydrogen bondingoffset π–π interactions |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Seul Gi Lee Ji Yeon Ryu Junseong Lee |
spellingShingle |
Seul Gi Lee Ji Yeon Ryu Junseong Lee Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate Acta Crystallographica Section E: Crystallographic Communications crystal structure tetrazole hydroxyphenyl tetrazole hydrogen bonding offset π–π interactions |
author_facet |
Seul Gi Lee Ji Yeon Ryu Junseong Lee |
author_sort |
Seul Gi Lee |
title |
Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate |
title_short |
Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate |
title_full |
Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate |
title_fullStr |
Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate |
title_full_unstemmed |
Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate |
title_sort |
crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2h-tetrazol-2-yl]acetate |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E: Crystallographic Communications |
issn |
2056-9890 |
publishDate |
2017-12-01 |
description |
The title compound, C10H10N4O3, was synthesized by the esterification of hydroxyphenyl tetrazole. There is an intramolecular O—H...N hydrogen bond present involving the hydroxy group and the tetrazole ring. The tetrazole ring is inclined to the phenol ring by 2.85 (13)°, while the methyl acetate group is almost normal to the tetrazole ring, making a dihedral angle of 82.61 (14)°. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers. Within the dimers, the phenol rings are linked by offset π–π interactions [intercentroid distance = 3.759 (2) Å]. There are no further significant intermolecular interactions present in the crystal. The hydroxy group is disordered about positions 2 and 6 on the benzene ring, with a refined occupancy ratio of 0.531 (5):0.469 (5). |
topic |
crystal structure tetrazole hydroxyphenyl tetrazole hydrogen bonding offset π–π interactions |
url |
http://scripts.iucr.org/cgi-bin/paper?S205698901701698X |
work_keys_str_mv |
AT seulgilee crystalstructureofmethyl252hydroxyphenyl2htetrazol2ylacetate AT jiyeonryu crystalstructureofmethyl252hydroxyphenyl2htetrazol2ylacetate AT junseonglee crystalstructureofmethyl252hydroxyphenyl2htetrazol2ylacetate |
_version_ |
1716811845780635648 |