About: Crystallography of 2,2',4,4',6,6'-hexanitro-1,1'-biphenyl and its relation to initiation reactivity     Goto   Sponge   NotDistinct   Permalink

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  • X-Ray crystallographic study of 2,2´,4,4´,6,6´-hexanitro-1,1´-biphenyl (HNBP, C12H4N6O12, Mr = 424.21) has been carried out with the following results: triclinic, a = 8.1860(7), b = 12.1370(8), c = 16.2040(12) Å, 98.728(6)°, 93.101(6)°, 104.688(6)°, V = 1532.05 Å3, Z = 4, Dx = 1.839 g.cm?3, MoKa) = 0.71073 Å, 0.169 cm?1, F(000) = 856, temperature of 150 K, final R = 0.0765 for 4415 independent observed reflections. The interplanar angles between benzene rings are 85.38 and 86.82° for two independent molecules. 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
  • X-Ray crystallographic study of 2,2´,4,4´,6,6´-hexanitro-1,1´-biphenyl (HNBP, C12H4N6O12, Mr = 424.21) has been carried out with the following results: triclinic, a = 8.1860(7), b = 12.1370(8), c = 16.2040(12) Å, 98.728(6)°, 93.101(6)°, 104.688(6)°, V = 1532.05 Å3, Z = 4, Dx = 1.839 g.cm?3, MoKa) = 0.71073 Å, 0.169 cm?1, F(000) = 856, temperature of 150 K, final R = 0.0765 for 4415 independent observed reflections. The interplanar angles between benzene rings are 85.38 and 86.82° for two independent molecules. 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 (en)
  • Rentgenografická studie of 2,2´,4,4´,6,6´-hexanitro-1,1´-biphenylu (HNBP, C12H4N6O12, Mr = 424.21) byla realizována s výsledkys: triclinic, a = 8.1860(7), b = 12.1370(8), c = 16.2040(12) Å, 98.728(6)°, 93.101(6)°, 104.688(6)°, V = 1532.05 Å3, Z = 4, Dx = 1.839 g.cm?3, MoKa) = 0.71073 Å, 0.169 cm?1, F(000) = 856, teplota 150 K, final R = 0.0765 for 4415 nezávisle pozorovaných reflexů.. Interplanaární úhly mezi benzenovými jádry jsou 85.38 a 86.82° pro dvě nezávislé molekuly.. 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. (cs)
Title
  • Crystallography of 2,2',4,4',6,6'-hexanitro-1,1'-biphenyl and its relation to initiation reactivity
  • Krystalografie 2,2',4,4',6,6'-hexanitro-1,1'-biphenylu a její vztah k jeho iniciační reaktivitě (cs)
  • Crystallography of 2,2',4,4',6,6'-hexanitro-1,1'-biphenyl and its relation to initiation reactivity (en)
skos:prefLabel
  • Crystallography of 2,2',4,4',6,6'-hexanitro-1,1'-biphenyl and its relation to initiation reactivity
  • Krystalografie 2,2',4,4',6,6'-hexanitro-1,1'-biphenylu a její vztah k jeho iniciační reaktivitě (cs)
  • Crystallography of 2,2',4,4',6,6'-hexanitro-1,1'-biphenyl and its relation to initiation reactivity (en)
skos:notation
  • RIV/00216275:25310/08:00007945!RIV09-MSM-25310___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(MSM0021627501)
http://linked.open...iv/cisloPeriodika
  • 0
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
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http://linked.open...iv/duvernostUdaju
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  • 361648
http://linked.open...ai/riv/idVysledku
  • RIV/00216275:25310/08:00007945
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • 2,2´,4,4´,6,6´-hexanitro-1,1´-biphenyl; crystallography; initiation; reactiv (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [BCAFFE946247]
http://linked.open...i/riv/nazevZdroje
  • Chemistry of Materials
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 0
http://linked.open...iv/tvurceVysledku
  • Růžička, Aleš
  • Zeman, Svatopluk
  • Roháč, Michal
http://linked.open...n/vavai/riv/zamer
issn
  • 0897-4756
number of pages
http://localhost/t...ganizacniJednotka
  • 25310
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