| 3,4-二（硝基呋咱基）氧化呋咱的晶体结构研究（英） |
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| 引用本文： | 王军,董海山,黄奕刚,李金山,周小青.3,4-二（硝基呋咱基）氧化呋咱的晶体结构研究（英）[J].含能材料,2006,14(5):374-376. |
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| 作者姓名： | 王军 董海山 黄奕刚 李金山 周小青 |
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| 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 |
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| 基金项目： | China Academy of Engineering Physics(No.2002Z0501) |
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| 摘 要： | 在丙酮中培养出了3,4-二(硝基呋咱基)氧化呋咱(BNFF)的单晶。用单晶X射线衍射、元素分析、红外、质谱和13C核磁共振谱对其结构进行了表征。测试结果表明:BNFF晶体属正交晶系,空间群P212121。主要晶体学参数为:a=0.6794(3)nm,b=1.0755(5)nm,c=1.5137(4)nm,V=1.1060(7)nm3,Mr=312.14,Z=4,Dx=1.874 g.cm-3,Dc=1.875 g.cm-3,F(000)=624,μ(MoKα)=0.176 mm-1,R1=0.0757,wR2=0.1206。BNFF分子中三个五员呋咱环分别处于3个不同的面中,在空间呈椅型结构,三环面扭曲,面间夹角为62.16(0.29)°和25.67(0.36)°
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| 关 键 词： | 有机化学 高能化合物 3 4-二(硝基呋咱基)氧化呋咱(BNFF) 晶体结构 |
| 文章编号： | 1006-9941（2006）05-0374-03 |
| 收稿时间： | 2006-06-12 |
| 修稿时间： | 2006-07-12 |
Crystal Structure of 3,4-Bis (nitrofurazano) furoxan |
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| WANG Jun,DONG Hai-shan,HUANG Yi-gang,LI Jin-shan and ZHOU Xiao-qing.Crystal Structure of 3,4-Bis (nitrofurazano) furoxan[J].Chinese Journal of Energetic Materials,2006,14(5):374-376. |
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| Authors: | WANG Jun DONG Hai-shan HUANG Yi-gang LI Jin-shan and ZHOU Xiao-qing |
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| 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;Institute of Chemical Materials, CAEP, Mianyang 621900, China |
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| Abstract: | The single crystal of 3,4-bis (nitrofurazano) furoxan (BNFF) was obtained using acetone as solvent. Its molecular structure was characterized by elemental analysis, IR, MS, 13C NMR and single-crystal X-ray diffraction. The results indicate that BNFF crystal belongs to orthorhombic, space group P212121 with a=0.6794 (3) nm, b=1.0755 (5) nm, c=1.5137 (4) nm, V=1.1060 (7) nm3, Mr=312.14, Z=4, Dx=1.874 g·cm-3 ,Dc=1.875 g·cm-3, F(000)=624, μ(MoKα)=0.176 mm-1, R1=0.0757, wR2=0.1206. Three 5-membered furazan rings of BNFF molecule are planar and the dihedral angles between them are 62.16 (0.29)° and 25.67 (0.36)° |
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| Keywords: | organic chemistry high energetic compound 3 4-bis(nitrofurazano) furoxan(BNFF) crystal structure |
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