Structures of the hydrate and dihydrate forms of the DNA-binding radioprotector methyl­pro­amine

Acta Crystallographica Section E: Crystallographic Communications

White, J.M.¹ 

[1] School of Chemistry and BIO-21 Institute, University of Melbourne, Parkville, VIC 3010, Melbourne, Australia

关键词: CRYSTAL STRUCTURE;    HYDRATES;    HYDROGEN BONDING;    TAUTOMERISM;   

DOI  :  10.1107/S2056989018016791

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

Methyl pro­amine {N,N,3-trimethyl-4-[6-(4-methyl­piperazin-1-yl)-1H,3′H-[2,5′-bibenzo[d]imidazol]-2′-yl]aniline}, C28H35N7O2, crystallized as both a dihydrate, C28H31N7·2H2O, and monohydrate, C28H31N7·H2O, form from water in the presence of β-cyclo­dextrin, in the P21/c and P21/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.

【 授权许可】

CC BY