Crystal structure of 4,5-dinitroimidazole (45DNI)

Bracuti AJ.

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Crystal structure of 4,5-dinitroimidazole (45DNI)

机译：4,5-二硝基咪唑的晶体结构（45dni）

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A single-crystal X-ray diffraction study verified that the target oxidizer molecule, 4,5-dinitroimidazole (45DNI), had been synthesized. Some structural features of 45DNI are discussed and compared with those of 1,4-dinitroimidazole and 2,4 di nitroimidazole. 45DNI crystallizes with two crystallographical ly unique molecules in the monoclinic space group P2(1)/n (#14) with unit-cell parameters a = 11.5360(8) Angstrom, b = 9.071(1) Angstrom, c = 11.822(1) Angstrom, beta' = 107.640(6)degrees, Z = 8, and has a density of 1.781 g/cm(3). The molecular packing consists of infinite one-dimensional chains of 45DNI molecules approximately oriented in the ac direction which are linked by two different hydrogen bonds, [N(1)--H(1)... N(31) and N(11)-H(11)... N(3)]. In the lateral directions the chains are held together by molecular forces. [References: 11]

机译：单晶X射线衍射研究证实了靶氧化剂分子，4,5-二硝基咪唑（45dNI）已合成。讨论了45dni的一些结构特征，并与1,4-二硝基咪唑和2,4二硝基咪唑的结构相比。 45dni用单斜晶群p2（1）/ n（＃14）中的两个晶形Ly独特分子结晶，单细胞参数a = 11.5360（8）埃，B = 9.071（1）埃，C = 11.822（1） Angstrom，β'= 107.640（6）度，Z = 8，具有1.781g / cm（3）的密度。分子包装由大约一定尺寸链组成的45dNI分子，大致沿两种不同的氢键连接的AC方向上取向，[n（1） - h（1）... n（31）和n（11 ）-h（11）... n（3）]。在横向方向上，链通过分子力保持在一起。 [参考：11]

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《Journal of chemical crystallography》 |1998年第5期|共5页
作者
Bracuti AJ.;
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作者单位

USA ARDEC Energet &

Warheads Div Picatinny Arsenal NJ 07806 USA .;

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原文格式 PDF
正文语种 eng
中图分类晶体学;
关键词
Aromatic molecules; Energetic molecules; Nitroimidazoles; Oxidizers; Propellants;

机译：芳香族分子;能量分子;硝基咪唑;氧化剂;推进剂;

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1. Crystal structure of 4,5-dinitroimidazole (45DNI) [J] . Bracuti AJ. Journal of chemical crystallography . 1998,第5期

机译：4,5-二硝基咪唑的晶体结构（45dni）
2. Crystal structures of methyl 3-phenyl-4,5-dihydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxylate and methyl 1-methyl-3-phenyl-4,5-dihydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxylate [J] . Govindaraj J., Raghunathan R., Raja R., Acta Crystallographica Section E: Crystallographic Communications . 2014,第11期

机译：3-苯基-4,5-二氢-1H，3H-苯并[4,5]咪唑并[2,1-c] [1,4]草氮平-4-羧酸甲酯和1-甲基-3-甲基甲酯的晶体结构苯基-4,5-二氢-1H，3H-苯并[4,5]咪唑并[2,1-c] [1,4]氧杂氮杂-4-羧酸酯
3. Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole [J] . Kehui Hou, Congming Ma, Zuliang Liu New Journal of Chemistry . 2013,第9期

机译：二硝基咪唑的N-取代衍生物的合成，单晶结构和性能
4. Solubility of 1-methyl-4,5-dinitroimidazole in different solvents [C] . Cao Duan-lin, Lei Feng-bing, You Min, Seminar on New Trends in Research of Energetic Materials . 2016

机译：1-甲基-4,5-二硝基咪唑在不同溶剂中的溶解度
5. Substitution chemistry of the cobalt complexes R carbon cobalt(3) nonacarbonyl (R = hydrogen, formyl radical) with the diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (bpcd): Syntheses, x-ray structures, and reactivity. [D] . Liu, Jie. 2001

机译：用二膦配体4,5-双（二苯基膦基）-4-环戊烯-1,3-二酮（bpcd）取代钴络合物R的碳（9）碳羰基钴（R =氢，甲酰基）：合成，x射线结构和反应性。
6. Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pentyloxy)benzoic acid–(E)-12-bis(pyridin-4-yl)ethene (2/1) and 4-(n-hexyloxy)benzoic acid–(E)-12-bis(pyridin-4-yl)ethene (2/1) [O] . Yohei Tabuchi, Kazuma Gotoh, Hiroyuki Ishida 2016

机译：作为液晶前体的氢键合共晶体的晶体结构：4-（正戊氧基）苯甲酸-（E）-12-双（吡啶-4-基）乙烯（2/1）和4-（正己氧基）苯甲酸-（E）-12-双（吡啶-4-基）乙烯（2/1）
7. Crystal structures of methyl 3-phenyl-4,5-dihydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxylate and methyl 1-methyl-3-phenyl-4,5-dihydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxylate [O] . J. Govindaraj, R. Raja, M. Suresh, 2014

机译：3-苯基-4,5-二氢-1H，3H-苯并[4,5]咪唑并[2,1-c] [1,4]氧氮杂-4-羧酸甲酯和1-甲基-3-甲基的晶体结构苯基-4,5-二氢-1H，3H-苯并[4,5]咪唑并[2,1-C] [1,4]氧氮杂-4-羧酸乙酯
8. Molecular Structure of a New Potential Propellant Oxidizer 4,5-Dinitroimidazole(45DNI) [R] . Bracuti, A. J. 1996

机译：新型推进剂氧化剂4,5-二硝基咪唑（45DNI）的分子结构

Crystal structure of 4,5-dinitroimidazole (45DNI)

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