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Synthesis and crystal structures of 2-bromo-1,3-di-methyl-imidazolium iodides.

ABSTRACT: Attempts at direct bromination of 1,3-di-methyl-imidazolium salts were futile. The title compounds, 2-bromo-1,3-di-methyl-imidazolium iodide chloro-form 0.33-solvate, C5H8BrN2+·I-·0.33CHCl3, 2-bromo-1,3-di-methyl-imidazolium iodide di-chloro-methane hemisolvate, C5H8BrN2+·I-·0.5CH2Cl2, and 2-bromo-1,3-di-methyl-imidazolium iodide hemi(diiodide), C5H8BrN2+·I-·0.5I2, were obtained by methyl-ation of 2-bromo-1-methyl-imidazole. They crystallized as CHCl3, CH2Cl2 or I2 solvates/adducts. The Br atom acts as a σ-hole to accept short C-Br⋯I inter-actions. C-H⋯I hydrogen bonds are observed in each structure.

SUBMITTER: Lampl M

PROVIDER: S-EPMC5946976 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Synthesis and crystal structures of two 1,3-di(alk-yloxy)-2-(methyl-sulfan-yl)imidazolium tetra-fluorido-borates.

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Anomalous halogen bonds in the crystal structures of 1,2,3-tri-bromo-5-nitro-benzene and 1,3-di-bromo-2-iodo-5-nitro-benzene.

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Crystal structure of 3-bromo-methyl-2-chloro-6-(di-bromo-meth-yl)quinoline.

Project description:In the title compound, C11H7Br3ClN, the quinoline ring system is approximately planar (r.m.s. = 0.011?Å). In the crystal, mol-ecules are linked by C-H?Br inter-actions forming chains along [10-1]. The chains are linked by C-H?? and ?-? inter-actions involving inversion-related pyridine rings [inter-centroid distance = 3.608?(4)?Å], forming sheets parallel to (10-1). Within the sheets, there are two significant short inter-actions involving a Br?Cl contact of 3.4904?(18)?Å and a Br?N contact of 3.187?(6)?Å, both of which are significantly shorter than the sum of their van der Waals radii.

| S-EPMC4420095 | biostudies-literature

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| S-EPMC4420096 | biostudies-literature

Crystal structures of (1E,4E)-1,5-bis-(5-bromo-thio-phen-2-yl)-2,4-di-methyl-penta-1,4-dien-3-one and (E)-4-(5-bromo-thio-phen-2-yl)-1,3-di-phenyl-but-3-en-2-one.

Project description:The title compounds, C15H12Br2OS2, (I), and C20H15BrOS, (II), were synthesized by employing Claisen-Schmidt condensation of pentan-3-one and di-benzyl-acetone with 5-bromo-thio-phene-2-carbaldehyde in the presence of methano-lic KOH. Even though 1:2 products were expected in both of the reactions, 1:2 and 1:1 products were obtained as (I) and (II), respectively. In (I), the two methyl groups are trans to each other, 29.5 (7) and 28.7 (7)° away from the central carbonyl bond between them, whereas the two phenyl rings of di-benzyl-acetone subtend a dihedral angle of 53.09 (18)°. In the crystal of (I), C-H⋯O hydrogen bonds define mol-ecular chains along c. A second type of mol-ecular chain is formed along b by means of C-Br⋯π inter-actions. These two families of mol-ecular chains are stacked by π-π inter-actions, forming a three-dimensional supra-molecular architecture. In (II), similar C-H⋯O hydrogen bonds as in (I) define inversion dimers, whilst C-H⋯.π inter-actions build a staircase structure along the a axis.

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| S-EPMC3297910 | biostudies-literature

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