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A hydrogen-bridged adduct 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis(tert-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate
The title compound, C(7)H(14)N(3) (+)·C(25)H(40)N(3)O(4)Si(2) (−)·CH(3)CN, was obtained by the reaction of 2-nitro-1,3-di(pyridin-2-yl)-1,3-di(tert-butyldimethylsilyloxy)propane with 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine. Two hydrogen bonds stabilize the Lewis acid/base pair of the...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200757/ https://www.ncbi.nlm.nih.gov/pubmed/22065493 http://dx.doi.org/10.1107/S1600536811033927 |
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| author | Schulz, Martin Görls, Helmar Westerhausen, Matthias |
| author_facet | Schulz, Martin Görls, Helmar Westerhausen, Matthias |
| author_sort | Schulz, Martin |
| collection | PubMed |
| description | The title compound, C(7)H(14)N(3) (+)·C(25)H(40)N(3)O(4)Si(2) (−)·CH(3)CN, was obtained by the reaction of 2-nitro-1,3-di(pyridin-2-yl)-1,3-di(tert-butyldimethylsilyloxy)propane with 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine. Two hydrogen bonds stabilize the Lewis acid/base pair of the nitronate and the guanidinium moiety with N⋯O distances of 2.772 (3) and 2.732 (3) Å. Both hydrogen atoms are more closely bound to the guanidinium [N—H distances of 0.83 (3) and 0.93 (3) Å] than to the nitronate moiety. The nitronate is double-bonded to the respective carbon with an N=C bond length of 1.316 (3) Å. |
| format | Online Article Text |
| id | pubmed-3200757 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-32007572011-11-06 A hydrogen-bridged adduct 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis(tert-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate Schulz, Martin Görls, Helmar Westerhausen, Matthias Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(7)H(14)N(3) (+)·C(25)H(40)N(3)O(4)Si(2) (−)·CH(3)CN, was obtained by the reaction of 2-nitro-1,3-di(pyridin-2-yl)-1,3-di(tert-butyldimethylsilyloxy)propane with 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine. Two hydrogen bonds stabilize the Lewis acid/base pair of the nitronate and the guanidinium moiety with N⋯O distances of 2.772 (3) and 2.732 (3) Å. Both hydrogen atoms are more closely bound to the guanidinium [N—H distances of 0.83 (3) and 0.93 (3) Å] than to the nitronate moiety. The nitronate is double-bonded to the respective carbon with an N=C bond length of 1.316 (3) Å. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200757/ /pubmed/22065493 http://dx.doi.org/10.1107/S1600536811033927 Text en © Schulz et al. 2011 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 Schulz, Martin Görls, Helmar Westerhausen, Matthias A hydrogen-bridged adduct 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis(tert-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate |
| title | A hydrogen-bridged adduct 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis(tert-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate |
| title_full | A hydrogen-bridged adduct 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis(tert-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate |
| title_fullStr | A hydrogen-bridged adduct 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis(tert-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate |
| title_full_unstemmed | A hydrogen-bridged adduct 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis(tert-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate |
| title_short | A hydrogen-bridged adduct 3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis(tert-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate |
| title_sort | hydrogen-bridged adduct 3,4,6,7,8,9-hexahydro-2h-pyrimido[1,2-a]pyrimidin-1-ium [1,3-bis(tert-butyldimethylsilyloxy)-1,3-bis(pyridin-2-yl)propan-2-ylidene]nitronate acetonitrile monosolvate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200757/ https://www.ncbi.nlm.nih.gov/pubmed/22065493 http://dx.doi.org/10.1107/S1600536811033927 |
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