Crystal structure of 3,6-bis(imidazol-1-yl)pyridazine, C10H8N6

Abstract

Source of materialThe title compound was synthesized according to the published procedure [1]. 3,6-bis(imidazol-1-yl)pyridazine (21 mg, 0.10 mmol) was then dissolved in 8mLof85%formic acid, The solution was then filtered into atest tube and left standing at room temperature. After about one month colorless needle-like crystals were obtained. X-ray diffraction analysis indicated that the title compound crystallizes without solvent molecules. Experimental detailsHydrogen atoms attached to the Ca toms were placed in calculated positions with d(C-H) =0.93 Å.All U iso values were restrained on U eq values of the parent atoms. DiscussionImidazole (Im), and their derivatives are ubiquitous in biological and biochemical structure and function [2,3]. Im derivatives have also found wide applications in drug design in the forms of antitumor and anticancer agents [4,5]. In addition to the above mentioned fields, imidazole derivatives can also be used in building coordination polymeric frameworks [6,7]. In the title crystal structure all of the bond distances and angles are in the normal range. The two imidazole rings are situated at trans configuration ( figure, top). The imidazole rings and the pyridazine ring are planar with the largest deviation from the least square plane of 0.0061 Å.T he dihedral angle between the imidazole ring and the pyridazine rings are 7.4°and 1.5°,respectively, the dihedral angle between the two imidazole rings in the same molecule is 6.4°,which is different to the published results [8]. Each two molecules are connected through two C-H···Nhy-drogen bonds to form adimer. The adjacent dimers are connected by two 3,6-bis(imidazol-1-yl)pyridazines along [001] through eight C-H···Nhydrogen bonds (figure, bottom). Every terminal Natom of the imidazole group form two C-H···Nhydrogen bonds with the dimers in bifurcate mode with the C-Nd istances of 3.460 Å and 3.482 Å,respectively. Caused by such weak interactions, the compound displayed corrugated layer structure. These layers were further stacked along [100] through C-H···Nhydro-gen bonds and p-p interactions (with centroid-centroid distance of 3.374 Å)toform 3D network structure.

Crystal structure of (E)-2,3-dibromo-4-((2,6-diisopropylphenylimino) methyl)-6-methoxyphenol, C20H23Br2NO2

“…Meanwhile, Schiff bases have also been found to be useful ligands to form stable complexes with avariety of transition metal ions [3][4]. As an extension of our work on the structural characterization of Schiff base compounds [5][6][7], in this paper we present an ew structure of a Schiff base compound. In the title compound, all the bond lengths are within normalranges [9].…”