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1-[(Cyclo­propyl­meth­oxy)meth­yl]-6-(3,4-dimeth­oxy­benzyl)-5-ethyl-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione ethanol hemisolvate

The asymmetric unit of the compound, C(20)H(26)N(2)O(5)·0.5C(2)H(5)OH, consists of two tetra­hydro­pyrimidine-2,4-dione mol­ecules and an ethanol mol­ecule. The pyrimidine rings are nearly planar (r.m.s. deviation = 0.006 Å in one mol­ecule and 0.009 Å in the other); the C atom at the 5-position dev...

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Autores principales: El-Brollosy, Nasser R., El-Emam, Ali A., Al-Deeb, Omar A., Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275033/
https://www.ncbi.nlm.nih.gov/pubmed/22346978
http://dx.doi.org/10.1107/S1600536811055693
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author El-Brollosy, Nasser R.
El-Emam, Ali A.
Al-Deeb, Omar A.
Ng, Seik Weng
author_facet El-Brollosy, Nasser R.
El-Emam, Ali A.
Al-Deeb, Omar A.
Ng, Seik Weng
author_sort El-Brollosy, Nasser R.
collection PubMed
description The asymmetric unit of the compound, C(20)H(26)N(2)O(5)·0.5C(2)H(5)OH, consists of two tetra­hydro­pyrimidine-2,4-dione mol­ecules and an ethanol mol­ecule. The pyrimidine rings are nearly planar (r.m.s. deviation = 0.006 Å in one mol­ecule and 0.009 Å in the other); the C atom at the 5-position deviates by 0.083 (3) Å [0.064 (3) Å in the second mol­ecule] from the mean plane and the C atom at the 6-position by 0.034 (3) Å [0.082 (3) Å in the second mol­ecule]. In each mol­ecule, the benzene ring is nearly perpendicular to the pyrimidine ring, the dihedral angle is 88.51 (8)° in one mol­ecule and 84.70 (8)° in the other. The amino group of each tetra­hydro­pyrimidine-2,4-dione mol­ecule is a hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol­ecule, the hydrogen bond generating an inversion dimer in each case. The ethanol mol­ecule forms a hydrogen bond to the meth­oxy O atom of one of two independent mol­ecules.
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spelling pubmed-32750332012-02-15 1-[(Cyclo­propyl­meth­oxy)meth­yl]-6-(3,4-dimeth­oxy­benzyl)-5-ethyl-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione ethanol hemisolvate El-Brollosy, Nasser R. El-Emam, Ali A. Al-Deeb, Omar A. Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the compound, C(20)H(26)N(2)O(5)·0.5C(2)H(5)OH, consists of two tetra­hydro­pyrimidine-2,4-dione mol­ecules and an ethanol mol­ecule. The pyrimidine rings are nearly planar (r.m.s. deviation = 0.006 Å in one mol­ecule and 0.009 Å in the other); the C atom at the 5-position deviates by 0.083 (3) Å [0.064 (3) Å in the second mol­ecule] from the mean plane and the C atom at the 6-position by 0.034 (3) Å [0.082 (3) Å in the second mol­ecule]. In each mol­ecule, the benzene ring is nearly perpendicular to the pyrimidine ring, the dihedral angle is 88.51 (8)° in one mol­ecule and 84.70 (8)° in the other. The amino group of each tetra­hydro­pyrimidine-2,4-dione mol­ecule is a hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol­ecule, the hydrogen bond generating an inversion dimer in each case. The ethanol mol­ecule forms a hydrogen bond to the meth­oxy O atom of one of two independent mol­ecules. International Union of Crystallography 2012-01-11 /pmc/articles/PMC3275033/ /pubmed/22346978 http://dx.doi.org/10.1107/S1600536811055693 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.
El-Emam, Ali A.
Al-Deeb, Omar A.
Ng, Seik Weng
1-[(Cyclo­propyl­meth­oxy)meth­yl]-6-(3,4-dimeth­oxy­benzyl)-5-ethyl-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione ethanol hemisolvate
title 1-[(Cyclo­propyl­meth­oxy)meth­yl]-6-(3,4-dimeth­oxy­benzyl)-5-ethyl-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione ethanol hemisolvate
title_full 1-[(Cyclo­propyl­meth­oxy)meth­yl]-6-(3,4-dimeth­oxy­benzyl)-5-ethyl-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione ethanol hemisolvate
title_fullStr 1-[(Cyclo­propyl­meth­oxy)meth­yl]-6-(3,4-dimeth­oxy­benzyl)-5-ethyl-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione ethanol hemisolvate
title_full_unstemmed 1-[(Cyclo­propyl­meth­oxy)meth­yl]-6-(3,4-dimeth­oxy­benzyl)-5-ethyl-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione ethanol hemisolvate
title_short 1-[(Cyclo­propyl­meth­oxy)meth­yl]-6-(3,4-dimeth­oxy­benzyl)-5-ethyl-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione ethanol hemisolvate
title_sort 1-[(cyclo­propyl­meth­oxy)meth­yl]-6-(3,4-dimeth­oxy­benzyl)-5-ethyl-1,2,3,4-tetra­hydro­pyrimidine-2,4-dione ethanol hemisolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275033/
https://www.ncbi.nlm.nih.gov/pubmed/22346978
http://dx.doi.org/10.1107/S1600536811055693
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