2,2′-Dimethyl-1,1′-[2,2-bis(bromomethyl)propane-1,3-diyl] dibenzimidazole hemihydrate

Xing Wang; Chun Bo Liu; Shen Tang Wang; Yong Sheng Yan; Ling Liu

doi:10.1107/S1600536812007751

2,2′-Dimethyl-1,1′-[2,2-bis(bromomethyl)propane-1,3-diyl] dibenzimidazole hemihydrate

Xing Wang, Chun Bo Liu, Shen Tang Wang, Yong Sheng Yan, Ling Liu

Jiangsu University

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

Abstract

The title compound, C ₂₁H ₂₂Br ₂N ₄·0.5H ₂O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].

Original language	English
Pages (from-to)	o856
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	3
DOIs	https://doi.org/10.1107/S1600536812007751
State	Published - Mar 2012
Externally published	Yes

Keywords

data-to-parameter ratio = 14.5.
disorder in solvent or counterion
Hatom completeness 96%
mean σ(C-C) = 0.011 Å
R factor = 0.074
single-crystal X-ray study
T = 153 K
wR factor = 0.159

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@article{03db236887174ab4a7a02bfb6887696d,

title = "2,2′-Dimethyl-1,1′-[2,2-bis(bromomethyl)propane-1,3-diyl] dibenzimidazole hemihydrate",

abstract = "The title compound, C 21H 22Br 2N 4·0.5H 2O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) {\AA}].",

keywords = "data-to-parameter ratio = 14.5., disorder in solvent or counterion, Hatom completeness 96%, mean σ(C-C) = 0.011 {\AA}, R factor = 0.074, single-crystal X-ray study, T = 153 K, wR factor = 0.159",

author = "Xing Wang and Liu, {Chun Bo} and Wang, {Shen Tang} and Yan, {Yong Sheng} and Ling Liu",

year = "2012",

month = mar,

doi = "10.1107/S1600536812007751",

language = "英语",

volume = "68",

pages = "o856",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "3",

}

TY - JOUR

T1 - 2,2′-Dimethyl-1,1′-[2,2-bis(bromomethyl)propane-1,3-diyl] dibenzimidazole hemihydrate

AU - Wang, Xing

AU - Liu, Chun Bo

AU - Wang, Shen Tang

AU - Yan, Yong Sheng

AU - Liu, Ling

PY - 2012/3

Y1 - 2012/3

N2 - The title compound, C 21H 22Br 2N 4·0.5H 2O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].

AB - The title compound, C 21H 22Br 2N 4·0.5H 2O, contains two benzimidazole groups which may provide two potential coordination nodes for the construction of metal-organic frameworks. The mean planes of the two imidazole groups are almost perpendicular, with a dihedral angle of 83.05 (2)°, and adjacent mol-ecules are linked into a one-dimensional chain by π-π stacking inter-actions between imidazole groups of different mol-ecules [centroid-to-centroid distances of 3.834 (2) and 3.522 (2) Å].

KW - data-to-parameter ratio = 14.5.

KW - disorder in solvent or counterion

KW - Hatom completeness 96%

KW - mean σ(C-C) = 0.011 Å

KW - R factor = 0.074

KW - single-crystal X-ray study

KW - T = 153 K

KW - wR factor = 0.159

UR - http://www.scopus.com/inward/record.url?scp=84863296147&partnerID=8YFLogxK

U2 - 10.1107/S1600536812007751

DO - 10.1107/S1600536812007751

M3 - 文章

AN - SCOPUS:84863296147

SN - 1600-5368

VL - 68

SP - o856

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 3

ER -

2,2′-Dimethyl-1,1′-[2,2-bis(bromomethyl)propane-1,3-diyl] dibenzimidazole hemihydrate

Abstract

Keywords

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