Synthesis and crystal structure of 2,6,8,12-tetraacetyl-2,4,6,8,10,12- hexaazatetracyclo[5.5.0.05,9.03,11]dodecane

Cheng Hui Sun; Ze Wang Feng; Tao Fang; Xin Qi Zhao

Synthesis and crystal structure of 2,6,8,12-tetraacetyl-2,4,6,8,10,12- hexaazatetracyclo[5.5.0.0^5,9.0^3,11]dodecane

Cheng Hui Sun, Ze Wang Feng, Tao Fang, Xin Qi Zhao^*

^*Corresponding author for this work

School of Material Science and Engineering

Beijing Institute of Technology

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

9 Citations (Scopus)

Abstract

The title compound, 2,6,8,12-tetraacetyl-2,4,6,8,10,12-hexaazatetracyclo[5. 5.0.0^5,9.0^3,11] dodecane (TAIW, C₁₄H ₂₀N₆O₄, M_r= 336.36), has been synthesized by hydrogenolysis debenzylation of tetraacetyldibenzylhexaazaisowurtzitane (TADB) and its crystal structure was determined to be monoclinic, space group C2/c with a = 28.193(6), b = 12.139(2), c = 17.678(4) Å, β = 97.44(3)°, V = 5999(2) Å³, Z = 16, D_c = 1.490 g/cm³, F(000) = 2848, μ(MoKα) = 0.112 mm^-1, R = 0.0631 and wR = 0.1586. X-ray investigations indicate that the molecule has different isomers and there exist intermolecular C-H⋯O hydrogen bonds in the crystal structure. The results of elemental analysis, IR and NMR spectroscopy are included.

Original language	English
Pages (from-to)	204-208
Number of pages	5
Journal	Jiegou Huaxue
Volume	24
Issue number	2
Publication status	Published - 2005

Keywords

2,6,8,12-Tetraacetyl-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0 .0]dodecane
Crystal structure
Hydrogen bonding
Synthesis
X-ray

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@article{2ff4f88ed9774e1bbea1407745183eeb,

title = "Synthesis and crystal structure of 2,6,8,12-tetraacetyl-2,4,6,8,10,12- hexaazatetracyclo[5.5.0.05,9.03,11]dodecane",

abstract = "The title compound, 2,6,8,12-tetraacetyl-2,4,6,8,10,12-hexaazatetracyclo[5. 5.0.05,9.03,11] dodecane (TAIW, C14H 20N6O4, Mr= 336.36), has been synthesized by hydrogenolysis debenzylation of tetraacetyldibenzylhexaazaisowurtzitane (TADB) and its crystal structure was determined to be monoclinic, space group C2/c with a = 28.193(6), b = 12.139(2), c = 17.678(4) {\AA}, β = 97.44(3)°, V = 5999(2) {\AA}3, Z = 16, Dc = 1.490 g/cm3, F(000) = 2848, μ(MoKα) = 0.112 mm-1, R = 0.0631 and wR = 0.1586. X-ray investigations indicate that the molecule has different isomers and there exist intermolecular C-H⋯O hydrogen bonds in the crystal structure. The results of elemental analysis, IR and NMR spectroscopy are included.",

keywords = "2,6,8,12-Tetraacetyl-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0 .0]dodecane, Crystal structure, Hydrogen bonding, Synthesis, X-ray",

author = "Sun, {Cheng Hui} and Feng, {Ze Wang} and Tao Fang and Zhao, {Xin Qi}",

year = "2005",

language = "English",

volume = "24",

pages = "204--208",

journal = "Jiegou Huaxue",

issn = "0254-5861",

publisher = "Fujian Institute of Research of the Structure of Matter",

number = "2",

}

TY - JOUR

T1 - Synthesis and crystal structure of 2,6,8,12-tetraacetyl-2,4,6,8,10,12- hexaazatetracyclo[5.5.0.05,9.03,11]dodecane

AU - Sun, Cheng Hui

AU - Feng, Ze Wang

AU - Fang, Tao

AU - Zhao, Xin Qi

PY - 2005

Y1 - 2005

N2 - The title compound, 2,6,8,12-tetraacetyl-2,4,6,8,10,12-hexaazatetracyclo[5. 5.0.05,9.03,11] dodecane (TAIW, C14H 20N6O4, Mr= 336.36), has been synthesized by hydrogenolysis debenzylation of tetraacetyldibenzylhexaazaisowurtzitane (TADB) and its crystal structure was determined to be monoclinic, space group C2/c with a = 28.193(6), b = 12.139(2), c = 17.678(4) Å, β = 97.44(3)°, V = 5999(2) Å3, Z = 16, Dc = 1.490 g/cm3, F(000) = 2848, μ(MoKα) = 0.112 mm-1, R = 0.0631 and wR = 0.1586. X-ray investigations indicate that the molecule has different isomers and there exist intermolecular C-H⋯O hydrogen bonds in the crystal structure. The results of elemental analysis, IR and NMR spectroscopy are included.

AB - The title compound, 2,6,8,12-tetraacetyl-2,4,6,8,10,12-hexaazatetracyclo[5. 5.0.05,9.03,11] dodecane (TAIW, C14H 20N6O4, Mr= 336.36), has been synthesized by hydrogenolysis debenzylation of tetraacetyldibenzylhexaazaisowurtzitane (TADB) and its crystal structure was determined to be monoclinic, space group C2/c with a = 28.193(6), b = 12.139(2), c = 17.678(4) Å, β = 97.44(3)°, V = 5999(2) Å3, Z = 16, Dc = 1.490 g/cm3, F(000) = 2848, μ(MoKα) = 0.112 mm-1, R = 0.0631 and wR = 0.1586. X-ray investigations indicate that the molecule has different isomers and there exist intermolecular C-H⋯O hydrogen bonds in the crystal structure. The results of elemental analysis, IR and NMR spectroscopy are included.

KW - 2,6,8,12-Tetraacetyl-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0 .0]dodecane

KW - Crystal structure

KW - Hydrogen bonding

KW - Synthesis

KW - X-ray

UR - http://www.scopus.com/inward/record.url?scp=13844294332&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:13844294332

SN - 0254-5861

VL - 24

SP - 204

EP - 208

JO - Jiegou Huaxue

JF - Jiegou Huaxue

IS - 2

ER -

Synthesis and crystal structure of 2,6,8,12-tetraacetyl-2,4,6,8,10,12- hexaazatetracyclo[5.5.0.0^5,9.0^3,11]dodecane

Abstract

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