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

科研成果: 期刊稿件 › 文章 › 同行评审

摘要

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].

源语言	英语
页（从-至）	o856
期刊	Acta Crystallographica Section E: Structure Reports Online
卷	68
期	3
DOI	https://doi.org/10.1107/S1600536812007751
出版状态	已出版 - 3月 2012
已对外发布	是

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10.1107/S1600536812007751

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

KW - R factor = 0.074

KW - T = 153 K

KW - data-to-parameter ratio = 14.5.

KW - disorder in solvent or counterion

KW - mean σ(C-C) = 0.011 Å

KW - single-crystal X-ray study

KW - wR factor = 0.159

UR - https://www.scopus.com/pages/publications/84863296147

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

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