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3,6-二(3 ′-氨基呋咱-4-基)-1,4-二氧杂-2,5-二氮杂环己-2,5-二烯的晶体结构(英)
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WANH Jun(1970-),male, MS degree, study on the synthesis and performance of energetic materials. e-mail: icm@caep.ac.cn

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China Academy of Engineering Physics (No.2002Z0501)


Crystal Structure of 3,6-Bis(3′-aminofurazan-4-yl)-1,4-dioxa-2,5-diazacyclohexa-2,5-diyne
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    摘要:

    制备并表征了化合物3,6-二(3′-氨基呋咱-4-基)-1,4-二氧杂-2,5-二氮杂环己-2,5-二烯(BADDD) 。其晶体结构参数为:Mr=252.17,三斜晶系,P-1空间群,a=0.48616 (10) nm, b=0.5237 (2) nm, c=0.97076 (19) nm, α=102.25(3)°, β=93.631(17)°, γ=101.88 (2)°, V=0.23489 (12) nm3, Z=1, Dc=1.783 g·cm-3, λ (MoKα)=0.071073 nm, μ(MoKα)=0.153 mm-1, F(000)=128, T=294 (2) k, R1=0.0351 and wR2=0.0875。BADDD分子由两个氨基呋咱环和一个由两个O原子,两个N原子和两个C原子组成的六元杂环构成。分子具有中心对称性。

    Abstract:

    The compound of 3,6-bis(3′-aminofurazan-4-yl)-1,4-dioxa-2,5-diazacyclohexa-2,5-diyne (BADDD) was obtained and characterized. It is triclinic, P-1, and with parameters of a=0.48616 (10) nm, b=0.5237 (2) nm, c=0.97076 (19) nm, α=102.25(3)°, β=93.631(17)°, γ=101.88 (2)°, V=0.23489 (12) nm3, Z=1, Dc=1.783 g·cm-3, λ (MoKα)=0.071073 nm, μ(MoKα)=0.153 mm-1, F(000)=128, T=294 (2) k, R1=0.0351 and wR2=0.0875. The molecule consists of two aminofurazano rings and a 6-membered heterocycle formed by two O atoms, two N atoms and two C atoms, respectively. The molecule is centrally symmetrical.

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王军,董海山,黄奕刚,等.3,6-二(3 ′-氨基呋咱-4-基)-1,4-二氧杂-2,5-二氮杂环己-2,5-二烯的晶体结构(英)[J].含能材料, 2006, 14(6):446-448.
WANG Jun, , ,et al. Crystal Structure of 3,6-Bis(3′-aminofurazan-4-yl)-1,4-dioxa-2,5-diazacyclohexa-2,5-diyne[J]. Chinese Journal of Energetic Materials, 2006, 14(6):446-448.

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  • 收稿日期: 2006-07-11
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  • 在线发布日期: 2011-11-04
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