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Crystal structure and Hirshfeld surface analysis of rac-2-[2-(4-chloro­phen­yl)-3,4-di­hydro-2H-1-benzo­pyran-4-yl­idene]hydrazine-1-carbo­thio­amide

In the title compound, C(16)H(14)N(3)OSCl, a Schiff base derivative of a thio­semicarbazide with a flavanone, the 4-chlorophenyl ring is inclined to the benzene ring of the chromane ring system by 30.72 (12)°. The pyran ring has an envelope conformation with the methine C atom as the flap. The mean...

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Autores principales: Zatsu, Ruokuosenuo, Maddela, Prabhakar, Indira Devi, M., Singh, Ranjit, Pradeep, Chullikkattil P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505591/
https://www.ncbi.nlm.nih.gov/pubmed/31110816
http://dx.doi.org/10.1107/S2056989019005073
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author Zatsu, Ruokuosenuo
Maddela, Prabhakar
Indira Devi, M.
Singh, Ranjit
Pradeep, Chullikkattil P.
author_facet Zatsu, Ruokuosenuo
Maddela, Prabhakar
Indira Devi, M.
Singh, Ranjit
Pradeep, Chullikkattil P.
author_sort Zatsu, Ruokuosenuo
collection PubMed
description In the title compound, C(16)H(14)N(3)OSCl, a Schiff base derivative of a thio­semicarbazide with a flavanone, the 4-chlorophenyl ring is inclined to the benzene ring of the chromane ring system by 30.72 (12)°. The pyran ring has an envelope conformation with the methine C atom as the flap. The mean plane of the thio­urea unit is twisted with respect to the benzene ring of the chromanone ring system, subtending a dihedral angle of 19.78 (19)°. In the crystal, mol­ecules are linked by two pairs of N—H⋯S hydrogen bonds, forming inversion dimers enclosing R (2) (2)(8) ring motifs, which are linked to form ribbons propagating along the b-axis direction. The inter­molecular contacts in the crystal have been analysed using Hirshfeld surface analysis.
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spelling pubmed-65055912019-05-20 Crystal structure and Hirshfeld surface analysis of rac-2-[2-(4-chloro­phen­yl)-3,4-di­hydro-2H-1-benzo­pyran-4-yl­idene]hydrazine-1-carbo­thio­amide Zatsu, Ruokuosenuo Maddela, Prabhakar Indira Devi, M. Singh, Ranjit Pradeep, Chullikkattil P. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(16)H(14)N(3)OSCl, a Schiff base derivative of a thio­semicarbazide with a flavanone, the 4-chlorophenyl ring is inclined to the benzene ring of the chromane ring system by 30.72 (12)°. The pyran ring has an envelope conformation with the methine C atom as the flap. The mean plane of the thio­urea unit is twisted with respect to the benzene ring of the chromanone ring system, subtending a dihedral angle of 19.78 (19)°. In the crystal, mol­ecules are linked by two pairs of N—H⋯S hydrogen bonds, forming inversion dimers enclosing R (2) (2)(8) ring motifs, which are linked to form ribbons propagating along the b-axis direction. The inter­molecular contacts in the crystal have been analysed using Hirshfeld surface analysis. International Union of Crystallography 2019-04-25 /pmc/articles/PMC6505591/ /pubmed/31110816 http://dx.doi.org/10.1107/S2056989019005073 Text en © Zatsu et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/
spellingShingle Research Communications
Zatsu, Ruokuosenuo
Maddela, Prabhakar
Indira Devi, M.
Singh, Ranjit
Pradeep, Chullikkattil P.
Crystal structure and Hirshfeld surface analysis of rac-2-[2-(4-chloro­phen­yl)-3,4-di­hydro-2H-1-benzo­pyran-4-yl­idene]hydrazine-1-carbo­thio­amide
title Crystal structure and Hirshfeld surface analysis of rac-2-[2-(4-chloro­phen­yl)-3,4-di­hydro-2H-1-benzo­pyran-4-yl­idene]hydrazine-1-carbo­thio­amide
title_full Crystal structure and Hirshfeld surface analysis of rac-2-[2-(4-chloro­phen­yl)-3,4-di­hydro-2H-1-benzo­pyran-4-yl­idene]hydrazine-1-carbo­thio­amide
title_fullStr Crystal structure and Hirshfeld surface analysis of rac-2-[2-(4-chloro­phen­yl)-3,4-di­hydro-2H-1-benzo­pyran-4-yl­idene]hydrazine-1-carbo­thio­amide
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of rac-2-[2-(4-chloro­phen­yl)-3,4-di­hydro-2H-1-benzo­pyran-4-yl­idene]hydrazine-1-carbo­thio­amide
title_short Crystal structure and Hirshfeld surface analysis of rac-2-[2-(4-chloro­phen­yl)-3,4-di­hydro-2H-1-benzo­pyran-4-yl­idene]hydrazine-1-carbo­thio­amide
title_sort crystal structure and hirshfeld surface analysis of rac-2-[2-(4-chloro­phen­yl)-3,4-di­hydro-2h-1-benzo­pyran-4-yl­idene]hydrazine-1-carbo­thio­amide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505591/
https://www.ncbi.nlm.nih.gov/pubmed/31110816
http://dx.doi.org/10.1107/S2056989019005073
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