Cargando…
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...
Autores principales: | , , |
---|---|
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 |
_version_ | 1783286340928929792 |
---|---|
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]. |
format | Online Article Text |
id | pubmed-5730309 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT argibayoterosaray amonoclinicpolymorphof12bis1methyl1htetrazol5ylsulfanylethanebmtte AT gomezpazolaya amonoclinicpolymorphof12bis1methyl1htetrazol5ylsulfanylethanebmtte AT carballorosa amonoclinicpolymorphof12bis1methyl1htetrazol5ylsulfanylethanebmtte AT argibayoterosaray monoclinicpolymorphof12bis1methyl1htetrazol5ylsulfanylethanebmtte AT gomezpazolaya monoclinicpolymorphof12bis1methyl1htetrazol5ylsulfanylethanebmtte AT carballorosa monoclinicpolymorphof12bis1methyl1htetrazol5ylsulfanylethanebmtte |