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(E)-4-[7-(2,3-Di­hydro­thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo­thia­diazol-4-yl]-2-[(neo­pentyl­imino)­meth­yl]phenol

In the title mol­ecule, C(24)H(23)N(3)O(3)S(2), the benzo­thia­diazole ring system is essentially planar, with an r.m.s. deviation of 0.020 (8) Å. The thio­phene and hy­droxy-substitiuted rings form dihedral angles of 23.43 (9) and 35.45 (9)°, respectively, with the benzo­thia­diazole ring system. A...

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Autores principales: Mitchell, Lauren A., Dinser, Jordan A., Holliday, Bradley J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158547/
https://www.ncbi.nlm.nih.gov/pubmed/25249900
http://dx.doi.org/10.1107/S1600536814014883
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author Mitchell, Lauren A.
Dinser, Jordan A.
Holliday, Bradley J.
author_facet Mitchell, Lauren A.
Dinser, Jordan A.
Holliday, Bradley J.
author_sort Mitchell, Lauren A.
collection PubMed
description In the title mol­ecule, C(24)H(23)N(3)O(3)S(2), the benzo­thia­diazole ring system is essentially planar, with an r.m.s. deviation of 0.020 (8) Å. The thio­phene and hy­droxy-substitiuted rings form dihedral angles of 23.43 (9) and 35.45 (9)°, respectively, with the benzo­thia­diazole ring system. An intra­molecular O—H⋯N hydrogen bond is observed. In the crystal, weak C—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid–centroid distance = 3.880 (3) Å] link mol­ecules into chains along [100]. In addition, there are short S⋯S contacts [3.532 (3) Å] which link these chains, forming a two-dimensional network parallel to (010).
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spelling pubmed-41585472014-09-23 (E)-4-[7-(2,3-Di­hydro­thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo­thia­diazol-4-yl]-2-[(neo­pentyl­imino)­meth­yl]phenol Mitchell, Lauren A. Dinser, Jordan A. Holliday, Bradley J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(24)H(23)N(3)O(3)S(2), the benzo­thia­diazole ring system is essentially planar, with an r.m.s. deviation of 0.020 (8) Å. The thio­phene and hy­droxy-substitiuted rings form dihedral angles of 23.43 (9) and 35.45 (9)°, respectively, with the benzo­thia­diazole ring system. An intra­molecular O—H⋯N hydrogen bond is observed. In the crystal, weak C—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid–centroid distance = 3.880 (3) Å] link mol­ecules into chains along [100]. In addition, there are short S⋯S contacts [3.532 (3) Å] which link these chains, forming a two-dimensional network parallel to (010). International Union of Crystallography 2014-07-05 /pmc/articles/PMC4158547/ /pubmed/25249900 http://dx.doi.org/10.1107/S1600536814014883 Text en © Mitchell et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Mitchell, Lauren A.
Dinser, Jordan A.
Holliday, Bradley J.
(E)-4-[7-(2,3-Di­hydro­thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo­thia­diazol-4-yl]-2-[(neo­pentyl­imino)­meth­yl]phenol
title (E)-4-[7-(2,3-Di­hydro­thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo­thia­diazol-4-yl]-2-[(neo­pentyl­imino)­meth­yl]phenol
title_full (E)-4-[7-(2,3-Di­hydro­thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo­thia­diazol-4-yl]-2-[(neo­pentyl­imino)­meth­yl]phenol
title_fullStr (E)-4-[7-(2,3-Di­hydro­thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo­thia­diazol-4-yl]-2-[(neo­pentyl­imino)­meth­yl]phenol
title_full_unstemmed (E)-4-[7-(2,3-Di­hydro­thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo­thia­diazol-4-yl]-2-[(neo­pentyl­imino)­meth­yl]phenol
title_short (E)-4-[7-(2,3-Di­hydro­thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo­thia­diazol-4-yl]-2-[(neo­pentyl­imino)­meth­yl]phenol
title_sort (e)-4-[7-(2,3-di­hydro­thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo­thia­diazol-4-yl]-2-[(neo­pentyl­imino)­meth­yl]phenol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158547/
https://www.ncbi.nlm.nih.gov/pubmed/25249900
http://dx.doi.org/10.1107/S1600536814014883
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