Isomorphism in Two E-1-4-Halophenyl-N-1-4-Methylphenyl-1H-Imidazol-4-ylMethanimines Halide = Cl, BrReport as inadecuate

Isomorphism in Two E-1-4-Halophenyl-N-1-4-Methylphenyl-1H-Imidazol-4-ylMethanimines Halide = Cl, Br - Download this document for free, or read online. Document in PDF available to download.

Journal of Chemical Crystallography

, Volume 42, Issue 10, pp 1036–1041

First Online: 24 August 2012Received: 14 February 2012Accepted: 04 August 2012

AbstractThe crystal structures of two imidazole-4-imines, E-1-4-chlorophenyl-N-1-4-methylphenyl-1H-imidazol-4-ylmethanimine 1 , C17H14ClN3, and E-1-4-bromophenyl-N-1-4-methylphenyl-1H-imidazol-4-ylmethanimine, 2 , C17H14BrN3, are isomorphous, the isostructurality index is 99.4 %. Both compounds crystallize in the triclinic space group P-1 with unit cell parameters at 1001 K as follows: for 1 , a = 7.97675 Å, b = 10.95177 Å, c = 16.675312 Å, α = 80.5226°, β = 87.0466°, γ = 89.2075°, and for 2 , a = 8.07207 Å, b = 10.933410 Å, c = 16.843313 Å, α = 81.1617°, β = 86.6057°, γ = 89.5057°. The structures contain two symmetry—independent but conformationally similar molecules in the asymmetric unit Z’ = 2. In both compounds the overall twist of the molecule, defined as the dihedral angle between the terminal phenyl ring planes is significant, around 56°. The crystal packing is determined mainly be weak specific intermolecular interactions: the C–H···N hydrogen bonds connect molecules into infinite chains, and the chains are linked via C–H···X hydrogen bonds and by π–π interactions. This study illustrates the significant role of the weak interactions, which—in spite of their weakness—can robustly repeat in the crystal structures of similar compounds.


AbstractTwo imidazole-4-imines, E-1-4-chlorophenyl-N-1-4-methylphenyl-1H-imidazol-4-ylmethanimine, and E-1-4-bromophenyl-N-1-4-methylphenyl-1H-imidazol-4-ylmethanimine, are isomorphous, the isostructurality index is 99.4 %.Open image in new windowKeywordsImidazole Isostructuralism Multiple molecules Weak intermolecular interactions Crystal structure  Download fulltext PDF

Author: Hanna Skrzypiec - Radosław Mazurek - Paweł Wagner - Maciej Kubicki


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