Synthesis and crystal structure of 6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-triyl trinitrate

Xiang Zhi Li; Ya Nan Li; Cheng Zhou; Hui Li; Xue Zhong Fan; Bo Zhou Wang

doi:10.11943/j.issn.1006-9941.2015.04.016

Synthesis and crystal structure of 6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-triyl trinitrate

Xiang Zhi Li, Ya Nan Li, Cheng Zhou, Hui Li, Xue Zhong Fan, Bo Zhou Wang^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

An energetic plasticizer 6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-tryl trinitrate(2) was synthesized from glyoxal and nitromethane via the condensation and nitration reactions with a total yield of 40.90%, and its structure was characterized by elemental analysis, IR, NMR. The single crystal of compound 2 was obtained firstly. It was found that its crystal belongs to the monoclinic system, and its space group is P2₁/n with a=7.792(9)Å, b=8.534(9)Å, c=19.41(2) Å, β=117.624(4)°, M_r=370.16, V=1305(2) Å³, Z=4, D_c=1.884 g·cm^-3, λ=0.71073 Å, F(000)=752, μ=0.189 mm^-1, S=1.097, the final R₁=0.0488, and wR₂=0.1289.

Original language	English
Pages (from-to)	405-408
Number of pages	4
Journal	Hanneng Cailiao/Chinese Journal of Energetic Materials
Volume	23
Issue number	4
DOIs	https://doi.org/10.11943/j.issn.1006-9941.2015.04.016
State	Published - 25 Apr 2015
Externally published	Yes

Keywords

6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-triyl trinitrate
Crystal structure
Synthesis

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10.11943/j.issn.1006-9941.2015.04.016

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title = "Synthesis and crystal structure of 6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-triyl trinitrate",

abstract = "An energetic plasticizer 6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-tryl trinitrate(2) was synthesized from glyoxal and nitromethane via the condensation and nitration reactions with a total yield of 40.90%, and its structure was characterized by elemental analysis, IR, NMR. The single crystal of compound 2 was obtained firstly. It was found that its crystal belongs to the monoclinic system, and its space group is P21/n with a=7.792(9){\AA}, b=8.534(9){\AA}, c=19.41(2) {\AA}, β=117.624(4)°, Mr=370.16, V=1305(2) {\AA}3, Z=4, Dc=1.884 g·cm-3, λ=0.71073 {\AA}, F(000)=752, μ=0.189 mm-1, S=1.097, the final R1=0.0488, and wR2=0.1289.",

keywords = "6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-triyl trinitrate, Crystal structure, Synthesis",

author = "Li, {Xiang Zhi} and Li, {Ya Nan} and Cheng Zhou and Hui Li and Fan, {Xue Zhong} and Wang, {Bo Zhou}",

year = "2015",

month = apr,

day = "25",

doi = "10.11943/j.issn.1006-9941.2015.04.016",

language = "אנגלית",

volume = "23",

pages = "405--408",

journal = "Hanneng Cailiao/Chinese Journal of Energetic Materials",

issn = "1006-9941",

publisher = "Chinese Academy of Engineering Physics",

number = "4",

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T1 - Synthesis and crystal structure of 6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-triyl trinitrate

AU - Li, Xiang Zhi

AU - Li, Ya Nan

AU - Zhou, Cheng

AU - Li, Hui

AU - Fan, Xue Zhong

AU - Wang, Bo Zhou

PY - 2015/4/25

Y1 - 2015/4/25

N2 - An energetic plasticizer 6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-tryl trinitrate(2) was synthesized from glyoxal and nitromethane via the condensation and nitration reactions with a total yield of 40.90%, and its structure was characterized by elemental analysis, IR, NMR. The single crystal of compound 2 was obtained firstly. It was found that its crystal belongs to the monoclinic system, and its space group is P21/n with a=7.792(9)Å, b=8.534(9)Å, c=19.41(2) Å, β=117.624(4)°, Mr=370.16, V=1305(2) Å3, Z=4, Dc=1.884 g·cm-3, λ=0.71073 Å, F(000)=752, μ=0.189 mm-1, S=1.097, the final R1=0.0488, and wR2=0.1289.

AB - An energetic plasticizer 6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-tryl trinitrate(2) was synthesized from glyoxal and nitromethane via the condensation and nitration reactions with a total yield of 40.90%, and its structure was characterized by elemental analysis, IR, NMR. The single crystal of compound 2 was obtained firstly. It was found that its crystal belongs to the monoclinic system, and its space group is P21/n with a=7.792(9)Å, b=8.534(9)Å, c=19.41(2) Å, β=117.624(4)°, Mr=370.16, V=1305(2) Å3, Z=4, Dc=1.884 g·cm-3, λ=0.71073 Å, F(000)=752, μ=0.189 mm-1, S=1.097, the final R1=0.0488, and wR2=0.1289.

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KW - Crystal structure

KW - Synthesis

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Synthesis and crystal structure of 6b-nitrohexahydro-2H-1, 3, 5-trioxacyclopenta[cd]-pentalene-2, 4, 6-triyl trinitrate

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