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4,5,8a-Triphenyl­perhydro­pyrimido[4,5-d]pyrimidine-2,7-dione monohydrate

The title compound, C(24)H(22)N(4)O(2)·H(2)O, was synthesized by the trimethyl­chloro­silane-catalysed reaction between urea, benzaldehyde and acetophenone. The organic mol­ecule comprises two fused tetra­hydro­pyrimidinone rings with phenyl substituents at the 4- and 5-positions on the tetra­hydro­...

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Detalles Bibliográficos
Autores principales: Zhu, Yulin, Qiu, Wanhong, Yang, Fufen, Li, Guichan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979643/
https://www.ncbi.nlm.nih.gov/pubmed/21579563
http://dx.doi.org/10.1107/S1600536810019525
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author Zhu, Yulin
Qiu, Wanhong
Yang, Fufen
Li, Guichan
author_facet Zhu, Yulin
Qiu, Wanhong
Yang, Fufen
Li, Guichan
author_sort Zhu, Yulin
collection PubMed
description The title compound, C(24)H(22)N(4)O(2)·H(2)O, was synthesized by the trimethyl­chloro­silane-catalysed reaction between urea, benzaldehyde and acetophenone. The organic mol­ecule comprises two fused tetra­hydro­pyrimidinone rings with phenyl substituents at the 4- and 5-positions on the tetra­hydro­pyrimidinone rings and a third phenyl substituent at the ring junction 8-position. The 4- and 5-substituted phenyl rings are inclined at a dihedral angle of 22.72 (11)° to one another and make angles of 47.95 (7) and 65.76 (7)° with the third phenyl substituent. In the crystal structure, inter­molecular N—H⋯O contacts link pyrimido[4,5-d]pyrimidine mol­ecules into centrosymmetric dimers. Additional N—H⋯O and O—H⋯O hydrogen bonds involving the water mol­ecule generate a three-dimensional network.
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spelling pubmed-29796432010-12-30 4,5,8a-Triphenyl­perhydro­pyrimido[4,5-d]pyrimidine-2,7-dione monohydrate Zhu, Yulin Qiu, Wanhong Yang, Fufen Li, Guichan Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(24)H(22)N(4)O(2)·H(2)O, was synthesized by the trimethyl­chloro­silane-catalysed reaction between urea, benzaldehyde and acetophenone. The organic mol­ecule comprises two fused tetra­hydro­pyrimidinone rings with phenyl substituents at the 4- and 5-positions on the tetra­hydro­pyrimidinone rings and a third phenyl substituent at the ring junction 8-position. The 4- and 5-substituted phenyl rings are inclined at a dihedral angle of 22.72 (11)° to one another and make angles of 47.95 (7) and 65.76 (7)° with the third phenyl substituent. In the crystal structure, inter­molecular N—H⋯O contacts link pyrimido[4,5-d]pyrimidine mol­ecules into centrosymmetric dimers. Additional N—H⋯O and O—H⋯O hydrogen bonds involving the water mol­ecule generate a three-dimensional network. International Union of Crystallography 2010-05-29 /pmc/articles/PMC2979643/ /pubmed/21579563 http://dx.doi.org/10.1107/S1600536810019525 Text en © Zhu et al. 2010 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
Zhu, Yulin
Qiu, Wanhong
Yang, Fufen
Li, Guichan
4,5,8a-Triphenyl­perhydro­pyrimido[4,5-d]pyrimidine-2,7-dione monohydrate
title 4,5,8a-Triphenyl­perhydro­pyrimido[4,5-d]pyrimidine-2,7-dione monohydrate
title_full 4,5,8a-Triphenyl­perhydro­pyrimido[4,5-d]pyrimidine-2,7-dione monohydrate
title_fullStr 4,5,8a-Triphenyl­perhydro­pyrimido[4,5-d]pyrimidine-2,7-dione monohydrate
title_full_unstemmed 4,5,8a-Triphenyl­perhydro­pyrimido[4,5-d]pyrimidine-2,7-dione monohydrate
title_short 4,5,8a-Triphenyl­perhydro­pyrimido[4,5-d]pyrimidine-2,7-dione monohydrate
title_sort 4,5,8a-triphenyl­perhydro­pyrimido[4,5-d]pyrimidine-2,7-dione monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979643/
https://www.ncbi.nlm.nih.gov/pubmed/21579563
http://dx.doi.org/10.1107/S1600536810019525
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