Crystal structure of 4-chloro-2-[(5-eth­oxy-1,3,4-thia­diazol-2-yl)meth­yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one

In the title mol­ecule, C(14)H(18)ClN(5)O(2)S, the six atoms of the 1,6-di­hydro­pyridazine ring are essentially coplanar (r.m.s. deviation = 0.008 Å), and the dihedral angle between this and the 1,3,4-thia­diazole ring is 62.06 (10)°. In the crystal, centrosymmetrically related mol­ecules are linke...

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Detalles Bibliográficos
Autores principales: Li, Hongsen, Ren, Xinfeng, Li, Ya, Zhao, Linjing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257213/
https://www.ncbi.nlm.nih.gov/pubmed/25484702
http://dx.doi.org/10.1107/S1600536814020662
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author Li, Hongsen
Ren, Xinfeng
Li, Ya
Zhao, Linjing
author_facet Li, Hongsen
Ren, Xinfeng
Li, Ya
Zhao, Linjing
author_sort Li, Hongsen
collection PubMed
description In the title mol­ecule, C(14)H(18)ClN(5)O(2)S, the six atoms of the 1,6-di­hydro­pyridazine ring are essentially coplanar (r.m.s. deviation = 0.008 Å), and the dihedral angle between this and the 1,3,4-thia­diazole ring is 62.06 (10)°. In the crystal, centrosymmetrically related mol­ecules are linked by inter­molecular C—H—O hydrogen bonding to form a supra­molecular dimer. The terminal ethyl group is statistically disordered over two positions.
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spelling pubmed-42572132014-12-05 Crystal structure of 4-chloro-2-[(5-eth­oxy-1,3,4-thia­diazol-2-yl)meth­yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one Li, Hongsen Ren, Xinfeng Li, Ya Zhao, Linjing Acta Crystallogr Sect E Struct Rep Online Data Reports In the title mol­ecule, C(14)H(18)ClN(5)O(2)S, the six atoms of the 1,6-di­hydro­pyridazine ring are essentially coplanar (r.m.s. deviation = 0.008 Å), and the dihedral angle between this and the 1,3,4-thia­diazole ring is 62.06 (10)°. In the crystal, centrosymmetrically related mol­ecules are linked by inter­molecular C—H—O hydrogen bonding to form a supra­molecular dimer. The terminal ethyl group is statistically disordered over two positions. International Union of Crystallography 2014-09-20 /pmc/articles/PMC4257213/ /pubmed/25484702 http://dx.doi.org/10.1107/S1600536814020662 Text en © Li 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 Data Reports
Li, Hongsen
Ren, Xinfeng
Li, Ya
Zhao, Linjing
Crystal structure of 4-chloro-2-[(5-eth­oxy-1,3,4-thia­diazol-2-yl)meth­yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one
title Crystal structure of 4-chloro-2-[(5-eth­oxy-1,3,4-thia­diazol-2-yl)meth­yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one
title_full Crystal structure of 4-chloro-2-[(5-eth­oxy-1,3,4-thia­diazol-2-yl)meth­yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one
title_fullStr Crystal structure of 4-chloro-2-[(5-eth­oxy-1,3,4-thia­diazol-2-yl)meth­yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one
title_full_unstemmed Crystal structure of 4-chloro-2-[(5-eth­oxy-1,3,4-thia­diazol-2-yl)meth­yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one
title_short Crystal structure of 4-chloro-2-[(5-eth­oxy-1,3,4-thia­diazol-2-yl)meth­yl]-5-(piperidin-1-yl)pyridazin-3(2H)-one
title_sort crystal structure of 4-chloro-2-[(5-eth­oxy-1,3,4-thia­diazol-2-yl)meth­yl]-5-(piperidin-1-yl)pyridazin-3(2h)-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257213/
https://www.ncbi.nlm.nih.gov/pubmed/25484702
http://dx.doi.org/10.1107/S1600536814020662
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AT zhaolinjing crystalstructureof4chloro25ethoxy134thiadiazol2ylmethyl5piperidin1ylpyridazin32hone

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