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Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane
The title compound, C(20)H(22)N(8)O(2), was synthesized by the coupling reaction of a sodium tetrazolate salt and dibromobutane in a molar ratio of 2:1. The reaction can produce several possible regioisomers and the title compound was separated as the major product. The X-ray crystallographic stu...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895957/ https://www.ncbi.nlm.nih.gov/pubmed/31871742 http://dx.doi.org/10.1107/S2056989019014877 |
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author | Byun, Young Min Ume, Farwa Ryu, Ji Yeon Lee, Junseong Park, Hyoung-Ryun |
author_facet | Byun, Young Min Ume, Farwa Ryu, Ji Yeon Lee, Junseong Park, Hyoung-Ryun |
author_sort | Byun, Young Min |
collection | PubMed |
description | The title compound, C(20)H(22)N(8)O(2), was synthesized by the coupling reaction of a sodium tetrazolate salt and dibromobutane in a molar ratio of 2:1. The reaction can produce several possible regioisomers and the title compound was separated as the major product. The X-ray crystallographic study confirmed that the title compound crystallizes in the monoclinic P2(1)/c space group and possesses a bridging butylene group that connects two identical phenyl tetrazole moieties. The butylene group is attached not to the first but the second nitrogen atoms of both tetrazole rings. The dihedral angles between the phenyl groups and the adjacent tetrazolyl rings are 5.32 (6) and 15.37 (7)°. In the crystal, the molecules form centrosymmetric dimers through C—H⋯O hydrogen bonds between a C—H group of the butylene linker and the O atom of a methoxy group. |
format | Online Article Text |
id | pubmed-6895957 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-68959572019-12-23 Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane Byun, Young Min Ume, Farwa Ryu, Ji Yeon Lee, Junseong Park, Hyoung-Ryun Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(20)H(22)N(8)O(2), was synthesized by the coupling reaction of a sodium tetrazolate salt and dibromobutane in a molar ratio of 2:1. The reaction can produce several possible regioisomers and the title compound was separated as the major product. The X-ray crystallographic study confirmed that the title compound crystallizes in the monoclinic P2(1)/c space group and possesses a bridging butylene group that connects two identical phenyl tetrazole moieties. The butylene group is attached not to the first but the second nitrogen atoms of both tetrazole rings. The dihedral angles between the phenyl groups and the adjacent tetrazolyl rings are 5.32 (6) and 15.37 (7)°. In the crystal, the molecules form centrosymmetric dimers through C—H⋯O hydrogen bonds between a C—H group of the butylene linker and the O atom of a methoxy group. International Union of Crystallography 2019-11-08 /pmc/articles/PMC6895957/ /pubmed/31871742 http://dx.doi.org/10.1107/S2056989019014877 Text en © Byun et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/ |
spellingShingle | Research Communications Byun, Young Min Ume, Farwa Ryu, Ji Yeon Lee, Junseong Park, Hyoung-Ryun Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane |
title | Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane |
title_full | Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane |
title_fullStr | Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane |
title_full_unstemmed | Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane |
title_short | Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane |
title_sort | crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2h-tetrazol-2-yl]butane |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895957/ https://www.ncbi.nlm.nih.gov/pubmed/31871742 http://dx.doi.org/10.1107/S2056989019014877 |
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