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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)
引用本文:王军,董海山,黄奕刚,李金山.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.
作者姓名:王军  董海山  黄奕刚  李金山
作者单位:中国工程物理研究院化工材料研究所,四川,绵阳,621900
基金项目:China Academy of Engineering Physics ( No. 2002Z0501 )
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=1.783g·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.

关 键 词:物理化学  高能化合物  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  晶体结构  physical  chemistry  high  energetic  compound  3  6-bis  (3'-aminofurazan-4-yl)  -1  4-dioxa-2  5-diaza-cyclohexa-2  5-diyne  (BADDD)  crystal  structure
文章编号:1006-9941(2006)06-0446-03
收稿时间:2006-07-11
修稿时间:2006-09-27

Crystal Structure of 3,6-Bis(3'-aminofurazan-4-yl)-1,4-dioxa-2,5-diazacyclohexa-2,5-diyne
WANG Jun,DONG Hai-shan,HUANG Yi-gang and LI Jin-shan.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.
Authors:WANG Jun  DONG Hai-shan  HUANG Yi-gang and LI Jin-shan
Affiliation:Institute of Chemical Materials, CAEP, Mianyang 621900, China;Institute of Chemical Materials, CAEP, Mianyang 621900, China;Institute of Chemical Materials, CAEP, Mianyang 621900, China;Institute of Chemical Materials, CAEP, Mianyang 621900, China
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=1.783g·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.
Keywords:physical chemistry  high energetic compound  3  6-bis (3'-aminofurazan-4-yl) -1  4-dioxa-2  5-diaza-cyclohexa-2  5-diyne (BADDD)  crystal structure
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