Marzec Bartosz, Mariyatra M Baby, McCabe Thomas, Schmitt Wolfgang
School of Chemistry & CRANN, The University of Dublin, Trinity College, Dublin 2, Ireland.
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):m1073-4. doi: 10.1107/S1600536811025414. Epub 2011 Jul 9.
The title compound, [CuCl(2)(C(18)H(18)N(8))]·2CH(3)OH·H(2)O, contains a penta-coordinated Cu(II) atom bonded to the tridentate 4,6-bis-[(E)-1-methyl-2-(pyridin-2-yl-methyl-idene)hydrazin-yl]pyrimidine ligand and two Cl atoms. The geometry around the Cu(II) atom is distorted square-pyramidal. The mol-ecules pack in the crystal structure via O-H⋯Cl, O-H⋯N, C-H⋯Cl and C-H⋯O hydrogen bonds, C-H⋯π and π-π inter-actions [centroid-centroid distances of the pyrimidine-pyridine and pyridine-pyridine inter-actions are 3.750 (3) and 3.850 (3) Å, respectively], forming sheet-like assemblies.
标题化合物[CuCl₂(C₁₈H₁₈N₈)]·2CH₃OH·H₂O中,一个五配位的Cu(II)原子与三齿配体4,6-双-[(E)-1-甲基-2-(吡啶-2-基亚甲基)肼基]嘧啶以及两个Cl原子相连。Cu(II)原子周围的几何构型为畸变的四方锥。分子通过O—H⋯Cl、O—H⋯N、C—H⋯Cl和C—H⋯O氢键、C—H⋯π和π-π相互作用(嘧啶-吡啶和吡啶-吡啶相互作用的质心-质心距离分别为3.750 (3) 和3.850 (3) Å)堆积在晶体结构中,形成层状聚集体。