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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...

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Autores principales: Byun, Young Min, Ume, Farwa, Ryu, Ji Yeon, Lee, Junseong, Park, Hyoung-Ryun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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