Details

Autor(en) / Beteiligte

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

Titel

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

Ist Teil von

• Russian chemical bulletin, 2017-04, Vol.66 (4), p.694-701

Ort / Verlag

New York: Springer US

Erscheinungsjahr

2017

Quelle

springer (창간호~2014)

Beschreibungen/Notizen

• 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 .