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...

Descripción completa

Detalles Bibliográficos
Autores principales: White, Jonathan Michael, Brydon, Samuel Charles, Fellowes, Thomas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
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
_version_ 1783378788405477376
author White, Jonathan Michael
Brydon, Samuel Charles
Fellowes, Thomas
author_facet White, Jonathan Michael
Brydon, Samuel Charles
Fellowes, Thomas
author_sort White, Jonathan Michael
collection PubMed
description 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.
format Online
Article
Text
id pubmed-6281125
institution National Center for Biotechnology Information
language English
publishDate 2018
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-62811252018-12-20 Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methyl­pro­amine White, Jonathan Michael Brydon, Samuel Charles Fellowes, Thomas Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2018-11-30 /pmc/articles/PMC6281125/ /pubmed/30574398 http://dx.doi.org/10.1107/S2056989018016791 Text en © White et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
White, Jonathan Michael
Brydon, Samuel Charles
Fellowes, Thomas
Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methyl­pro­amine
title Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methyl­pro­amine
title_full Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methyl­pro­amine
title_fullStr Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methyl­pro­amine
title_full_unstemmed Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methyl­pro­amine
title_short Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methyl­pro­amine
title_sort structures of the hydrate and dihydrate forms of the dna-binding radioprotector methyl­pro­amine
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281125/
https://www.ncbi.nlm.nih.gov/pubmed/30574398
http://dx.doi.org/10.1107/S2056989018016791
work_keys_str_mv AT whitejonathanmichael structuresofthehydrateanddihydrateformsofthednabindingradioprotectormethylproamine
AT brydonsamuelcharles structuresofthehydrateanddihydrateformsofthednabindingradioprotectormethylproamine
AT fellowesthomas structuresofthehydrateanddihydrateformsofthednabindingradioprotectormethylproamine

Ejemplares similares