Cargando…

6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(2-phenyl­eth­oxy)meth­yl]pyrimidine-2,4(1H,3H)dione

In the title pyrimidine derivative, C(24)H(28)N(2)O(3), the uracil unit is essentially planar with an r.m.s. deviation of 0.0054 (1) Å for the eight non-H atoms. The pyrimidine ring is tilted by a dihedral angle of 77.08 (7)° with respect to the aromatic ring of the 3,5-dimethyl­benzyl substituent,...

Descripción completa

Detalles Bibliográficos
Autores principales: El-Brollosy, Nasser R., Attia, Mohamed I., Ghabbour, Hazem A., Chantrapromma, Suchada, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343994/
https://www.ncbi.nlm.nih.gov/pubmed/22589903
http://dx.doi.org/10.1107/S1600536812009841
_version_ 1782231891355631616
author El-Brollosy, Nasser R.
Attia, Mohamed I.
Ghabbour, Hazem A.
Chantrapromma, Suchada
Fun, Hoong-Kun
author_facet El-Brollosy, Nasser R.
Attia, Mohamed I.
Ghabbour, Hazem A.
Chantrapromma, Suchada
Fun, Hoong-Kun
author_sort El-Brollosy, Nasser R.
collection PubMed
description In the title pyrimidine derivative, C(24)H(28)N(2)O(3), the uracil unit is essentially planar with an r.m.s. deviation of 0.0054 (1) Å for the eight non-H atoms. The pyrimidine ring is tilted by a dihedral angle of 77.08 (7)° with respect to the aromatic ring of the 3,5-dimethyl­benzyl substituent, whereas it is nearly parallel to the benzene ring of the pheneth­oxy­methyl unit, with a dihedral angle of 8.17 (8)°. An intra­molecular C—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by a pair of amide–uracil N—H⋯O hydrogen bonds into an inversion R (2) (2)(8) dimer. These dimers are stacked along the b axis through π–π inter­actions with a centroid–centroid distance of 3.9517 (8) Å. Weak C—H⋯π inter­actions are also present.
format Online
Article
Text
id pubmed-3343994
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33439942012-05-15 6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(2-phenyl­eth­oxy)meth­yl]pyrimidine-2,4(1H,3H)dione El-Brollosy, Nasser R. Attia, Mohamed I. Ghabbour, Hazem A. Chantrapromma, Suchada Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title pyrimidine derivative, C(24)H(28)N(2)O(3), the uracil unit is essentially planar with an r.m.s. deviation of 0.0054 (1) Å for the eight non-H atoms. The pyrimidine ring is tilted by a dihedral angle of 77.08 (7)° with respect to the aromatic ring of the 3,5-dimethyl­benzyl substituent, whereas it is nearly parallel to the benzene ring of the pheneth­oxy­methyl unit, with a dihedral angle of 8.17 (8)°. An intra­molecular C—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by a pair of amide–uracil N—H⋯O hydrogen bonds into an inversion R (2) (2)(8) dimer. These dimers are stacked along the b axis through π–π inter­actions with a centroid–centroid distance of 3.9517 (8) Å. Weak C—H⋯π inter­actions are also present. International Union of Crystallography 2012-03-10 /pmc/articles/PMC3343994/ /pubmed/22589903 http://dx.doi.org/10.1107/S1600536812009841 Text en © El-Brollosy et al. 2012 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
El-Brollosy, Nasser R.
Attia, Mohamed I.
Ghabbour, Hazem A.
Chantrapromma, Suchada
Fun, Hoong-Kun
6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(2-phenyl­eth­oxy)meth­yl]pyrimidine-2,4(1H,3H)dione
title 6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(2-phenyl­eth­oxy)meth­yl]pyrimidine-2,4(1H,3H)dione
title_full 6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(2-phenyl­eth­oxy)meth­yl]pyrimidine-2,4(1H,3H)dione
title_fullStr 6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(2-phenyl­eth­oxy)meth­yl]pyrimidine-2,4(1H,3H)dione
title_full_unstemmed 6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(2-phenyl­eth­oxy)meth­yl]pyrimidine-2,4(1H,3H)dione
title_short 6-(3,5-Dimethyl­benz­yl)-5-ethyl-1-[(2-phenyl­eth­oxy)meth­yl]pyrimidine-2,4(1H,3H)dione
title_sort 6-(3,5-dimethyl­benz­yl)-5-ethyl-1-[(2-phenyl­eth­oxy)meth­yl]pyrimidine-2,4(1h,3h)dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343994/
https://www.ncbi.nlm.nih.gov/pubmed/22589903
http://dx.doi.org/10.1107/S1600536812009841
work_keys_str_mv AT elbrollosynasserr 635dimethylbenzyl5ethyl12phenylethoxymethylpyrimidine241h3hdione
AT attiamohamedi 635dimethylbenzyl5ethyl12phenylethoxymethylpyrimidine241h3hdione
AT ghabbourhazema 635dimethylbenzyl5ethyl12phenylethoxymethylpyrimidine241h3hdione
AT chantraprommasuchada 635dimethylbenzyl5ethyl12phenylethoxymethylpyrimidine241h3hdione
AT funhoongkun 635dimethylbenzyl5ethyl12phenylethoxymethylpyrimidine241h3hdione