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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...

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Autores principales: Lee, Seul Gi, Ryu, Ji Yeon, Lee, Junseong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
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).
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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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