Unknown

Dataset Information

0

1-(4-tert-Butyl-benz-yl)-3-(3,4,5-tri-methoxy-benz-yl)benzimidazolium bromide monohydrate.

ABSTRACT: A novel N-heterocyclic carbene derivative, C(28)H(33)N(2)O(3) (+)·Br(-)·H(2)O, was synthesized and characterized by elemental analysis, (1)H and (13)C-NMR and IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by ??? stacking inter-actions (face-face separation 3.441?Å) and C-H?Br and O-H?Br inter-actions. Intra- and intermolecular C-H?O inter-actions are also present. The C-N bond lengths for the compound [1.329?(3), 1.325?(3), 1.389?(3) and 1.391?(3)?Å] are all shorter than the average single C-N bond length of 1.48?Å, thus showing varying degrees of double-bond character.

SUBMITTER: Arslan H 

PROVIDER: S-EPMC2968113 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

1-(4-tert-Butyl-benz-yl)-3-(3,4,5-tri-methoxy-benz-yl)benzimidazolium bromide monohydrate.

Arslan Hakan H   Vanderveer Don D   Demir Serpil S   Ozdemir Ismail I   Cetinkaya Bekir B  

Acta crystallographica. Section E, Structure reports online 20081224 Pt 1

A novel N-heterocyclic carbene derivative, C(28)H(33)N(2)O(3) (+)·Br(-)·H(2)O, was synthesized and characterized by elemental analysis, (1)H and (13)C-NMR and IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by π⋯π stacking inter-actions (face-face separation 3.441 Å) and C-H⋯Br and O-H⋯Br inter-actions. Intra- and intermolecular C-H⋯O inter-actions are also present. The C-N bond lengths for the compound [1.329 (3), 1.325 (3), 1.389 (3) and 1.39  ...[more]

Similar Datasets

Unknown 1,3-Bis(4-tert-butyl-benz-yl)-4,5-dihydro-imidazolium chloride monohydrate.
| S-EPMC2968238 | biostudies-literature
Unknown 1,3-Bis[4-(meth-oxy-carbon-yl)benz-yl]benzimidazolium bromide monohydrate.
| S-EPMC3011811 | biostudies-other
Unknown 2-Amino-4-tert-butyl-5-(2,4-dichloro-benz-yl)thia-zol-3-ium bromide.
| S-EPMC2983563 | biostudies-literature
Unknown 1-(4-tert-Butyl-benz-yl)-2-(4-tert-butyl-phen-yl)-1H-benzimidazole.
| S-EPMC2971974 | biostudies-literature
Unknown 2-(4-Bromo-benz-yl)-5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra-methoxy-calix[4]arene.
| S-EPMC2969344 | biostudies-literature
Unknown N-(4-tert-Butyl-benz-yl)phthalimide.
| S-EPMC2977282 | biostudies-literature
Unknown [4-(Methoxy-carbon-yl)benz-yl]triphenyl-phospho-nium bromide hemihydrate.
| S-EPMC2960404 | biostudies-literature
Unknown Tetra-kis(4-tert-butyl-benz-yl)silane.
| S-EPMC3007930 | biostudies-literature
Unknown 1-(Prop-2-en-1-yl)-3-[(trimethyl-sil-yl)meth-yl]benzimidazolium bromide monohydrate.
| S-EPMC3008061 | biostudies-literature
Unknown 2,6-Di-tert-butyl-4-(methoxy-meth-yl)phenol.
| S-EPMC2960792 | biostudies-literature