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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-2979643 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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