Cargando…
Crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate
The title compounds, C(16)H(14)O(2)S(2) and C(16)H(14)O(3)S, which are monomeric models (models D and E) for a polythionoester and a poly(ester-co-thionoester), respectively, crystallize in the space group P2(1)/c and are isostructural with each other. The molecule in each crystal is located on a...
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/PMC5730289/ https://www.ncbi.nlm.nih.gov/pubmed/29250352 http://dx.doi.org/10.1107/S2056989017012701 |
_version_ | 1783286336154763264 |
---|---|
author | Tanaka, Syuto Masu, Hyuma Sasanuma, Yuji |
author_facet | Tanaka, Syuto Masu, Hyuma Sasanuma, Yuji |
author_sort | Tanaka, Syuto |
collection | PubMed |
description | The title compounds, C(16)H(14)O(2)S(2) and C(16)H(14)O(3)S, which are monomeric models (models D and E) for a polythionoester and a poly(ester-co-thionoester), respectively, crystallize in the space group P2(1)/c and are isostructural with each other. The molecule in each crystal is located on an inversion centre and has an all-trans structure. The asymmetric unit comprises one half-molecule. In the crystal, there are intermolecular C⋯S contacts [3.391 (3) and 3.308 (3) Å for models D and E, respectively] and C—H⋯π interactions, which form a layer structure parallel to the bc plane. The carbonyl and thiocarbonyl groups of the model E compound are each disordered over two equivalent sites about the inversion centre with equal occupancies. |
format | Online Article Text |
id | pubmed-5730289 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-57302892017-12-15 Crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate Tanaka, Syuto Masu, Hyuma Sasanuma, Yuji Acta Crystallogr E Crystallogr Commun Research Communications The title compounds, C(16)H(14)O(2)S(2) and C(16)H(14)O(3)S, which are monomeric models (models D and E) for a polythionoester and a poly(ester-co-thionoester), respectively, crystallize in the space group P2(1)/c and are isostructural with each other. The molecule in each crystal is located on an inversion centre and has an all-trans structure. The asymmetric unit comprises one half-molecule. In the crystal, there are intermolecular C⋯S contacts [3.391 (3) and 3.308 (3) Å for models D and E, respectively] and C—H⋯π interactions, which form a layer structure parallel to the bc plane. The carbonyl and thiocarbonyl groups of the model E compound are each disordered over two equivalent sites about the inversion centre with equal occupancies. International Union of Crystallography 2017-09-08 /pmc/articles/PMC5730289/ /pubmed/29250352 http://dx.doi.org/10.1107/S2056989017012701 Text en © Tanaka 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 Tanaka, Syuto Masu, Hyuma Sasanuma, Yuji Crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate |
title | Crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate |
title_full | Crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate |
title_fullStr | Crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate |
title_full_unstemmed | Crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate |
title_short | Crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate |
title_sort | crystal structures of 2-(benzenecarbothioyloxy)ethyl benzenecarbothioate and 2-(benzenecarbothioyloxy)ethyl benzoate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730289/ https://www.ncbi.nlm.nih.gov/pubmed/29250352 http://dx.doi.org/10.1107/S2056989017012701 |
work_keys_str_mv | AT tanakasyuto crystalstructuresof2benzenecarbothioyloxyethylbenzenecarbothioateand2benzenecarbothioyloxyethylbenzoate AT masuhyuma crystalstructuresof2benzenecarbothioyloxyethylbenzenecarbothioateand2benzenecarbothioyloxyethylbenzoate AT sasanumayuji crystalstructuresof2benzenecarbothioyloxyethylbenzenecarbothioateand2benzenecarbothioyloxyethylbenzoate |