C 8H7N3,t riclinic, P1 (no. 2), a =13.452(5) Å, b =14.016(5) Å, c =17.086(6) Å, a =73.38(2)°, b =71.56(2)°, g =75.12(2)°,
Source of material
Experimental detailsThe crystal diffracted only till 2q =46.5°.Each refl. is measured more than 10 times (78595 measured refl.). The data have been collected at 120 Ktohave the highest possible 2q max .All the hydrogen atoms were localized by difference Fourier maps and refined.
DiscussionThe title molecule 2-(2'-pyridyl)imidazole (py-imH) has been widely used as ligand in coordination chemistry [1][2][3][4] [14,15]. It is also known to yield to iron(II) complexes exhibiting spin crossover behaviour in solution [16,17] as well as in the solid state [18][19][20][21][22]. Yet its crystal structure had not been determined. The asymmetric part of the unit cell contains eight organic molecules which is rather rare. They differ by their conformation as the eight independent molecules show significant differences in the dihedral angle N2-C3-C4-C5 (j)b etween aromatic rings. A range of j is observed between 1(1)°to 17(1)°.A ll the N-H groups are involved in N-H···Nhydrogen bonds, four of which are Hb onds between molecules of the same asymmetric unit. Some p-p and C-H···p interactions contribute also to the building of the observed dense supramolecular network.