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Crystallography of 2,2',4,4',6,6'-hexanitro-1,1'-biphenyl and its relation to initiation reactivity
Authors: Růžička Aleš | Zeman Svatopluk | Roháč Michal
Year: 2007
Type of publication: článek v odborném periodiku
Name of source: Chemistry of Materials
Publisher name: American Chemical Society
Place: Washington
Page from-to: 123-137
Titles:
Language Name Abstract Keywords
cze Krystalografie 2,2',4,4',6,6'-hexanitro-1,1'-biphenylu a její vztah k jeho iniciační reaktivitě Roentgenografická studie of 2,2´,4,4´,6,6´-hexanitro-1,1´-biphenylu (HNBP, C12H4N6O12, Mr = 424.21) byla realizována. Byla indikována možnost existence intermolekulární vodíkové vazby a atypicky krátké vzdálenosti mezi kyslíkovými atomy nitoskupin v 2,6-polohách jedné molekuly a nitroskupin v poloze 4 přilehlé molekuly. Tyto interakce mohou být příčinou primárních reakcí nitroskupiny v poloze 4(4´),v porovnání s nitroskupinami v polohách 2,6(2´,6´), v molekule HNBP během její iniciace. V tomto smyslu se HNBP liší od jiných členů polynitro polyfenylenů, obsahujících v molekule trinitrofenylové stavební jednotky.
eng Crystallography of 2,2',4,4',6,6'-hexanitro-1,1'-biphenyl and its relation to initiation reactivity X-Ray crystallographic study of 2,2´,4,4´,6,6´-hexanitro-1,1´-biphenyl (HNBP, C12H4N6O12, Mr = 424.21) has been carried out. A possibility of intermolecular hydrogen bonds was indicated and atypically short distances between oxygen atoms of nitro groups in the 2,6-positions of one molecule and nitro groups in the 4-position of adjacent molecules were found. These interactions might be a reason of the primary reaction of nitro group in the position 4(4´), compared to nitro groups in positions 2,6(2´,6´), in the HNBP molecule during its initiation. In this respect, HNBP differs from the other members of polynitro polyphenylene series containing trinitrophenyl building blocks in their molecules. 2,2´,4,4´,6,6´-hexanitro-1,1´-biphenyl;crystallography;initiation;reactivity

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