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Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chloro-3,5-dimethylphenol
Solvent-free treatment of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecano (TATU) with 4-chloro-3,5-dimethylphenol led to the formation of the title co-crystal, C(7)H(14)N(4)·2C(8)H(9)ClO. The asymmetric unit contains one aminal cage molecule and two phenol molecules linked via two O—H⋯N hydro...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095854/ https://www.ncbi.nlm.nih.gov/pubmed/27840729 http://dx.doi.org/10.1107/S2056989016016650 |
| _version_ | 1782465362221072384 |
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| author | Rivera, Augusto Rojas, Jicli José Sadat-Bernal, John Ríos-Motta, Jaime Bolte, Michael |
| author_facet | Rivera, Augusto Rojas, Jicli José Sadat-Bernal, John Ríos-Motta, Jaime Bolte, Michael |
| author_sort | Rivera, Augusto |
| collection | PubMed |
| description | Solvent-free treatment of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecano (TATU) with 4-chloro-3,5-dimethylphenol led to the formation of the title co-crystal, C(7)H(14)N(4)·2C(8)H(9)ClO. The asymmetric unit contains one aminal cage molecule and two phenol molecules linked via two O—H⋯N hydrogen bonds. In the aminal cage, the N–CH(2)–CH(2)–N unit is slightly distorted from a syn periplanar geometry. Aromatic π–π stacking between the benzene rings from two different neighbouring phenol molecules [centroid–centroid distance = 4.0570 (11) Å] consolidates the crystal packing. |
| format | Online Article Text |
| id | pubmed-5095854 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2016 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-50958542016-11-11 Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chloro-3,5-dimethylphenol Rivera, Augusto Rojas, Jicli José Sadat-Bernal, John Ríos-Motta, Jaime Bolte, Michael Acta Crystallogr E Crystallogr Commun Research Communications Solvent-free treatment of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecano (TATU) with 4-chloro-3,5-dimethylphenol led to the formation of the title co-crystal, C(7)H(14)N(4)·2C(8)H(9)ClO. The asymmetric unit contains one aminal cage molecule and two phenol molecules linked via two O—H⋯N hydrogen bonds. In the aminal cage, the N–CH(2)–CH(2)–N unit is slightly distorted from a syn periplanar geometry. Aromatic π–π stacking between the benzene rings from two different neighbouring phenol molecules [centroid–centroid distance = 4.0570 (11) Å] consolidates the crystal packing. International Union of Crystallography 2016-10-25 /pmc/articles/PMC5095854/ /pubmed/27840729 http://dx.doi.org/10.1107/S2056989016016650 Text en © Rivera et al. 2016 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 | Research Communications Rivera, Augusto Rojas, Jicli José Sadat-Bernal, John Ríos-Motta, Jaime Bolte, Michael Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chloro-3,5-dimethylphenol |
| title | Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chloro-3,5-dimethylphenol |
| title_full | Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chloro-3,5-dimethylphenol |
| title_fullStr | Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chloro-3,5-dimethylphenol |
| title_full_unstemmed | Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chloro-3,5-dimethylphenol |
| title_short | Mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (TATU) and 4-chloro-3,5-dimethylphenol |
| title_sort | mechanochemical synthesis and crystal structure of a 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1(3,8)]undecane (tatu) and 4-chloro-3,5-dimethylphenol |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5095854/ https://www.ncbi.nlm.nih.gov/pubmed/27840729 http://dx.doi.org/10.1107/S2056989016016650 |
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