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Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate
The title compound, C(10)H(10)N(4)O(3), 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 methy...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730263/ https://www.ncbi.nlm.nih.gov/pubmed/29250426 http://dx.doi.org/10.1107/S205698901701698X |
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author | Lee, Seul Gi Ryu, Ji Yeon Lee, Junseong |
author_facet | Lee, Seul Gi Ryu, Ji Yeon Lee, Junseong |
author_sort | Lee, Seul Gi |
collection | PubMed |
description | The title compound, C(10)H(10)N(4)O(3), 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). |
format | Online Article Text |
id | pubmed-5730263 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-57302632017-12-15 Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate Lee, Seul Gi Ryu, Ji Yeon Lee, Junseong Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(10)H(10)N(4)O(3), 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). International Union of Crystallography 2017-11-30 /pmc/articles/PMC5730263/ /pubmed/29250426 http://dx.doi.org/10.1107/S205698901701698X Text en © Lee et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Lee, Seul Gi Ryu, Ji Yeon Lee, Junseong Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate |
title | 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_short | 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 |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730263/ https://www.ncbi.nlm.nih.gov/pubmed/29250426 http://dx.doi.org/10.1107/S205698901701698X |
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