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Crystal structure of 9,20-dimethyl-1,8,12,19-tetraazatetracyclo[17.3.1.0(2,7).0(13,18)]tricosane dihydrate from synchrotron X-ray data
The structure of the title compound, C(21)H(40)N(4)·2H(2)O, has been determined from synchrotron X-ray radiation data. The asymmetric unit comprises one 12-membered macropolycycle and two lattice water molecules. The macropolycycle contains two cyclohexane rings and one 1,3-diazacyclohexane rin...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347061/ https://www.ncbi.nlm.nih.gov/pubmed/28316816 http://dx.doi.org/10.1107/S2056989017002444 |
Sumario: | The structure of the title compound, C(21)H(40)N(4)·2H(2)O, has been determined from synchrotron X-ray radiation data. The asymmetric unit comprises one 12-membered macropolycycle and two lattice water molecules. The macropolycycle contains two cyclohexane rings and one 1,3-diazacyclohexane ring, all in chair conformations. The C—N and C—C bond lengths are in the ranges 1.4526 (16)–1.4786 (17) and 1.517 (2)–1.5414 (17) Å, respectively. One intramolecular N—H⋯N hydrogen bond helps to stabilize the molecular conformation while medium-strength intermolecular N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds involving the lattice water molecules connect the components into a three-dimensional network. |
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