N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl­prop­yl)-4,5-dihydro-1,3,4-thia­diazol-2-yl]acetamide ethyl acetate hemisolvate

The racemic title compound, a new terpenoid, C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2), was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solvent mol­ecule. The thia­diazole ring is almost planar, with a maximum deviation from the mean plane of...

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Autores principales: Loughzail, Mohamed, Mazoir, Noureddine, Maya, Celia M., Berraho, Moha, Benharref, Ahmed, Bouhmaida, Nouzha
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2967856/
https://www.ncbi.nlm.nih.gov/pubmed/21581682
http://dx.doi.org/10.1107/S1600536808039998
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author Loughzail, Mohamed
Mazoir, Noureddine
Maya, Celia M.
Berraho, Moha
Benharref, Ahmed
Bouhmaida, Nouzha
author_facet Loughzail, Mohamed
Mazoir, Noureddine
Maya, Celia M.
Berraho, Moha
Benharref, Ahmed
Bouhmaida, Nouzha
author_sort Loughzail, Mohamed
collection PubMed
description The racemic title compound, a new terpenoid, C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2), was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solvent mol­ecule. The thia­diazole ring is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å for the C atom connected to the isobutyl group and has a puckering amplitude of 0.026 (2) Å. The dihedral angle between the benzene and thia­diazole rings is 18.32 (8)°. The crystal packing involves inter­molecular N—H⋯O hydrogen bonds.
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spelling pubmed-29678562010-12-30 N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl­prop­yl)-4,5-dihydro-1,3,4-thia­diazol-2-yl]acetamide ethyl acetate hemisolvate Loughzail, Mohamed Mazoir, Noureddine Maya, Celia M. Berraho, Moha Benharref, Ahmed Bouhmaida, Nouzha Acta Crystallogr Sect E Struct Rep Online Organic Papers The racemic title compound, a new terpenoid, C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2), was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solvent mol­ecule. The thia­diazole ring is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å for the C atom connected to the isobutyl group and has a puckering amplitude of 0.026 (2) Å. The dihedral angle between the benzene and thia­diazole rings is 18.32 (8)°. The crystal packing involves inter­molecular N—H⋯O hydrogen bonds. International Union of Crystallography 2008-12-03 /pmc/articles/PMC2967856/ /pubmed/21581682 http://dx.doi.org/10.1107/S1600536808039998 Text en © Loughzail et al. 2009 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
Loughzail, Mohamed
Mazoir, Noureddine
Maya, Celia M.
Berraho, Moha
Benharref, Ahmed
Bouhmaida, Nouzha
N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl­prop­yl)-4,5-dihydro-1,3,4-thia­diazol-2-yl]acetamide ethyl acetate hemisolvate
title N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl­prop­yl)-4,5-dihydro-1,3,4-thia­diazol-2-yl]acetamide ethyl acetate hemisolvate
title_full N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl­prop­yl)-4,5-dihydro-1,3,4-thia­diazol-2-yl]acetamide ethyl acetate hemisolvate
title_fullStr N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl­prop­yl)-4,5-dihydro-1,3,4-thia­diazol-2-yl]acetamide ethyl acetate hemisolvate
title_full_unstemmed N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl­prop­yl)-4,5-dihydro-1,3,4-thia­diazol-2-yl]acetamide ethyl acetate hemisolvate
title_short N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl­prop­yl)-4,5-dihydro-1,3,4-thia­diazol-2-yl]acetamide ethyl acetate hemisolvate
title_sort n-[4-acetyl-5-isobutyl-5-(2-p-tolyl­prop­yl)-4,5-dihydro-1,3,4-thia­diazol-2-yl]acetamide ethyl acetate hemisolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2967856/
https://www.ncbi.nlm.nih.gov/pubmed/21581682
http://dx.doi.org/10.1107/S1600536808039998
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AT bouhmaidanouzha n4acetyl5isobutyl52ptolylpropyl45dihydro134thiadiazol2ylacetamideethylacetatehemisolvate

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