Abstract
The title compounds, C11H10N4O (HL1) and C11H10N4O (HL2), are pyridine 2-ylmethyl and 4-ylmethyl derivatives, respectively, of pyrazine-2-carboxamide. HL1 was measured at 153 K and crystallized in the monoclinic space group P21/c with Z = 4. There has been a report of the same structure measured at room temperature but assumed to crystallize in the triclinic space group P-1 with Z = 4 [Sasan et al. (2008 ▶). Monatsh. Chem. 139, 773-780]. In HL1, the pyridine ring is inclined to the pyrazine ring by 61.34 (6)°, while in HL2 this dihedral angle is 84.33 (12)°. In both mol-ecules, there is a short N-H⋯N inter-action involving the pyrazine carboxamide unit. In the crystal of HL1, mol-ecules are linked by N-H⋯N hydrogen bonds, forming inversion dimers with an R 2 (2)(10) ring motif. The dimers are linked via bifurcated-acceptor C-H⋯O hydrogen bonds, forming sheets lying parallel to (102). The sheets are linked via C-H⋯N hydrogen bonds, forming a three-dimensional structure. In the crystal of HL2, mol-ecules are linked by N-H⋯N and C-H⋯N hydrogen bonds to form chains propagating along [010]. The chains are linked via C-H⋯O hydrogen bonds, forming sheets lying parallel to (100). Within the sheets there are π-π inter-actions involving neighbouring pyrazine rings [inter-centroid distance = 3.711 (15) Å]. Adjacent sheets are linked via parallel slipped π-π inter-actions involving inversion-related pyridine rings [inter-centroid distance = 3.6395 (17) Å], forming a three-dimensional structure.
Highlights
HL1 was measured at 153 K and crystallized in the monoclinic space group P21/c with Z = 4
The chains are linked via C—H O hydrogen bonds, forming sheets lying parallel to (100)
The sheets are linked via slipped parallel – interactions involving inversion-related pyridine rings [Cg2 Cg2ii = 3.6395 (11) Å, normal distance = 3.4164 (11), slippage = 1.255 Å; Cg2 is the centroid of pyridine ring N4/C7–C11; symmetry code: (ii) x, y, z], forming a three-dimensional structure
Summary
The title compounds form part of a series of ligands synthesized in order to study their coordination chemistry with 3d transition metals (Cati, 2002). They have been used to construct coordination polymers and multi-nuclear compounds, and to study their magnetic doi:10.1107/S1600536814009519. A view of the molecular structure of HL1, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level. Properties (Cati et al, 2004). Similar ligands have been synthesized by other groups who have studied, for example, the magnetic properties of some copper(II) complexes (Hausmann et al, 2003; Kingele et al, 2007)
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