Crystal structure of 3,4-bis(nitrofurazano) furoxan

Jun Wang; Hai Shan Dong; Yi Gang Huang; Jin Shan Li; Xiao Qing Zhou

Crystal structure of 3,4-bis(nitrofurazano) furoxan

Jun Wang, Hai Shan Dong, Yi Gang Huang, Jin Shan Li, Xiao Qing Zhou

China Academy of Engineering Physics

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

10 Scopus citations

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, M_r = 312.14, Z=4, D_x = 1.874 g·cm^-3, D_c = 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)°.

Original language	English
Pages (from-to)	374-376
Number of pages	3
Journal	Hanneng Cailiao/Chinese Journal of Energetic Materials
Volume	14
Issue number	5
State	Published - Oct 2006
Externally published	Yes

Keywords

3,4-bis(nitrofurazano) furoxan (BNFF)
Crystal structure
High energetic compound
Organic chemistry

Cite this

@article{2b4845195917408dbbd5c55ff07b49de,

title = "Crystal structure of 3,4-bis(nitrofurazano) furoxan",

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)°.",

keywords = "3,4-bis(nitrofurazano) furoxan (BNFF), Crystal structure, High energetic compound, Organic chemistry",

author = "Jun Wang and Dong, {Hai Shan} and Huang, {Yi Gang} and Li, {Jin Shan} and Zhou, {Xiao Qing}",

year = "2006",

month = oct,

language = "英语",

volume = "14",

pages = "374--376",

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

issn = "1006-9941",

publisher = "Institute of Chemical Materials, China Academy of Engineering Physics",

number = "5",

}

TY - JOUR

T1 - Crystal structure of 3,4-bis(nitrofurazano) furoxan

AU - Wang, Jun

AU - Dong, Hai Shan

AU - Huang, Yi Gang

AU - Li, Jin Shan

AU - Zhou, Xiao Qing

PY - 2006/10

Y1 - 2006/10

N2 - 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)°.

AB - 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)°.

KW - 3,4-bis(nitrofurazano) furoxan (BNFF)

KW - Crystal structure

KW - High energetic compound

KW - Organic chemistry

UR - http://www.scopus.com/inward/record.url?scp=33846131916&partnerID=8YFLogxK

M3 - 文章

AN - SCOPUS:33846131916

SN - 1006-9941

VL - 14

SP - 374

EP - 376

JO - Hanneng Cailiao/Chinese Journal of Energetic Materials

JF - Hanneng Cailiao/Chinese Journal of Energetic Materials

IS - 5

ER -

Crystal structure of 3,4-bis(nitrofurazano) furoxan

Abstract

Keywords

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