Polymorphism of bimolecular crystals of CL-20 with tris[1,2,5]oxadiazolo[3,4-b:3´,4´-d:3″,4″-f]azepine-7-amine View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2017-04

AUTHORS

Z. G. Aliev, T. K. Goncharov, D. V. Dashko, E. L. Ignat´eva, A. A. Vasil´eva, N. I. Shishov, D. V. Korchagin, Yu. M. Milekhin, S. M. Aldoshin

ABSTRACT

New bimolecular crystals (BMCs) of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) with tris[1,2,5]oxadiazolo[3,4-b:3´,4´-d:3″,4″-f]azepine-7-amine (AZ2) were synthesized. Four different crystal structures — two polymorphic modifications with the CL-20: AZ2 ratio of 1: 1 (BMCs 1 and 2) and two polymorphic modifications with the ratio of 1: 2 (BMCs 3 and 4) — were obtained depending on the crystallization conditions. These crystals were studied by X-ray diffraction. The results of quantum chemical calculations indicate that the new η-conformation found in crystal 1 is not a stable conformer of CL-20 and its existence is attributed to the crystal packing effects in structure 1. More... »

PAGES

694-701

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/s11172-017-1794-8

DOI

http://dx.doi.org/10.1007/s11172-017-1794-8

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1091417014


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