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A monoclinic polymorph of 1,2-bis­[(1-methyl-1H-tetra­zol-5-yl)sulfan­yl]ethane (BMTTE)

The synthesis and crystal structure of a monoclinic (P2(1)/c) polymorph of the title compound, C(6)H(10)S(2)N(8), are reported. The mol­ecule has pseudo-twofold rotational symmetry, with the tetra­zole rings being inclined to one another by 5.50 (6)°. In the crystal, mol­ecules are linked by C—H⋯N h...

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Autores principales: Argibay-Otero, Saray, Gómez-Paz, Olaya, Carballo, Rosa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730309/
https://www.ncbi.nlm.nih.gov/pubmed/29250372
http://dx.doi.org/10.1107/S205698901701341X
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author Argibay-Otero, Saray
Gómez-Paz, Olaya
Carballo, Rosa
author_facet Argibay-Otero, Saray
Gómez-Paz, Olaya
Carballo, Rosa
author_sort Argibay-Otero, Saray
collection PubMed
description The synthesis and crystal structure of a monoclinic (P2(1)/c) polymorph of the title compound, C(6)H(10)S(2)N(8), are reported. The mol­ecule has pseudo-twofold rotational symmetry, with the tetra­zole rings being inclined to one another by 5.50 (6)°. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds, forming chains propagating along [101] and enclosing R (2) (2)(20) ring motifs. The chains are linked by offset π–π inter­actions involving the tetra­zole rings [inter­centroid distances vary from 3.3567 (7) to 3.4227 (7) Å], forming layers parallel to the ac plane. The crystal structure of the triclinic polymorph (P [Image: see text]) has been described previously [Li et al. (2011 ▸). Acta Cryst. E67, o1669].
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spelling pubmed-57303092017-12-15 A monoclinic polymorph of 1,2-bis­[(1-methyl-1H-tetra­zol-5-yl)sulfan­yl]ethane (BMTTE) Argibay-Otero, Saray Gómez-Paz, Olaya Carballo, Rosa Acta Crystallogr E Crystallogr Commun Research Communications The synthesis and crystal structure of a monoclinic (P2(1)/c) polymorph of the title compound, C(6)H(10)S(2)N(8), are reported. The mol­ecule has pseudo-twofold rotational symmetry, with the tetra­zole rings being inclined to one another by 5.50 (6)°. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds, forming chains propagating along [101] and enclosing R (2) (2)(20) ring motifs. The chains are linked by offset π–π inter­actions involving the tetra­zole rings [inter­centroid distances vary from 3.3567 (7) to 3.4227 (7) Å], forming layers parallel to the ac plane. The crystal structure of the triclinic polymorph (P [Image: see text]) has been described previously [Li et al. (2011 ▸). Acta Cryst. E67, o1669]. International Union of Crystallography 2017-09-25 /pmc/articles/PMC5730309/ /pubmed/29250372 http://dx.doi.org/10.1107/S205698901701341X Text en © Argibay-Otero 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
Argibay-Otero, Saray
Gómez-Paz, Olaya
Carballo, Rosa
A monoclinic polymorph of 1,2-bis­[(1-methyl-1H-tetra­zol-5-yl)sulfan­yl]ethane (BMTTE)
title A monoclinic polymorph of 1,2-bis­[(1-methyl-1H-tetra­zol-5-yl)sulfan­yl]ethane (BMTTE)
title_full A monoclinic polymorph of 1,2-bis­[(1-methyl-1H-tetra­zol-5-yl)sulfan­yl]ethane (BMTTE)
title_fullStr A monoclinic polymorph of 1,2-bis­[(1-methyl-1H-tetra­zol-5-yl)sulfan­yl]ethane (BMTTE)
title_full_unstemmed A monoclinic polymorph of 1,2-bis­[(1-methyl-1H-tetra­zol-5-yl)sulfan­yl]ethane (BMTTE)
title_short A monoclinic polymorph of 1,2-bis­[(1-methyl-1H-tetra­zol-5-yl)sulfan­yl]ethane (BMTTE)
title_sort monoclinic polymorph of 1,2-bis­[(1-methyl-1h-tetra­zol-5-yl)sulfan­yl]ethane (bmtte)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730309/
https://www.ncbi.nlm.nih.gov/pubmed/29250372
http://dx.doi.org/10.1107/S205698901701341X
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