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Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methylproamine
Methyl proamine {N,N,3-trimethyl-4-[6-(4-methylpiperazin-1-yl)-1H,3′H-[2,5′-bibenzo[d]imidazol]-2′-yl]aniline}, C(28)H(35)N(7)O(2), crystallized as both a dihydrate, C(28)H(31)N(7)·2H(2)O, and monohydrate, C(28)H(31)N(7)·H(2)O, form from water in the presence of β-cyclodextrin, in the P2(1)/c and...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281125/ https://www.ncbi.nlm.nih.gov/pubmed/30574398 http://dx.doi.org/10.1107/S2056989018016791 |
Sumario: | Methyl proamine {N,N,3-trimethyl-4-[6-(4-methylpiperazin-1-yl)-1H,3′H-[2,5′-bibenzo[d]imidazol]-2′-yl]aniline}, C(28)H(35)N(7)O(2), crystallized as both a dihydrate, C(28)H(31)N(7)·2H(2)O, and monohydrate, C(28)H(31)N(7)·H(2)O, form from water in the presence of β-cyclodextrin, in the P2(1)/c and P2(1)/n space groups, respectively. The two structures adopt different conformations and tautomeric forms as a result of the differing crystal packing as dictated by hydrogen-bonding interactions. The dihydrate crystallizes as a three-dimensional hydrogen-bonded network, while the monohydrate crystallizes as a two-dimensional hydrogen-bonded network. |
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