First Iridium(IV) Chloride-Dimethyl Sulfoxide Complex [H(dmso)][IrCl(dmso-κO)]: Synthesis and Structure along with Novel Polymorph Modifications of [H(dmso)][-IrCl(dmso-κS)] and [H(dmso)][IrCl(dmso-κS)].

As evidenced by UV-Vis and EPR spectroscopies, the reaction of HIrCl·6HO or Na[IrCl]·HO with DMSO results in a slow reduction of Ir(IV) avoiding the formation of Ir(IV) dimethyl sulfoxide complexes in measurable quantities. More specifically, we successfully isolated and solved the crystal structure of a sodium hexachloridoiridate(III), Na[IrCl]·2HO, as a product of Na[IrCl]·HO reduction in an acetone solution. Furthermore, it was shown that [IrCl(MeCO)] species is gradually formed in an acetone solution of HIrCl·6HO upon storage.

Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile hemi-hydrate and 1,6-di-amino-2-oxo-4-phenyl-1,2-di-hydro-pyridine-3,5-dicarbo-nitrile.

In 2-amino-4-(4-bromo-phen-yl)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile hemihydrate, CHBrNO·0.5HO, (I), pairs of mol-ecules are linked by pairs of N-H⋯N hydrogen bonds, forming dimers with an (12) ring motif. The dimers are connected by N-H⋯Br and O-H⋯O hydrogen bonds, and C-Br⋯π inter-actions, forming layers parallel to the (010) plane.

Crystal structure and Hirshfeld surface analysis of 1-(-butyl-amino)-3-mesitylpropan-2-ol hemi-hydrate.

The title compound, 2CHNO·HO, crystallizes in the monoclinic 2/ space group with two independent mol-ecules ( and ) in the asymmetric unit. In the crystal, mol-ecules and are linked through the water mol-ecules by inter-molecular O-H⋯O and O-H⋯N hydrogen bonds, producing chains along the -axis direction. These chains are linked with neighboring chains parallel to the (103) plane C-H⋯π inter-actions, generating ribbons along the -axis direction.

Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-di-chloro-phen-yl)-1,3,4,8-tetra-hydro-2-pyrido[1,2-]pyrimidine-7,9-dicarbo-nitrile.

In the mol-ecular structure of the title compound, CHClN, the 1,4-di-hydro-pyridine ring of the 1,3,4,8-tetra-hydro-2-pyrido[1,2-]pyrimidine ring system adopts a screw-boat conformation, while the 1,3-diazinane ring is puckered. In the crystal, inter-molecular N-H⋯N and C-H⋯N hydrogen bonds form mol-ecular sheets parallel to the (110) and (10) planes, crossing each other. Adjacent mol-ecules are further linked by C-H⋯π inter-actions, which form zigzag chains propagating parallel to [100].

Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetra-hydro-2-pyrido[1,2-]pyrimidine-7,9-dicarbo-nitrile.

In the title compound, CHN, the 1,4-di-hydro-pyridine ring has a shallow boat conformation, while the 1,3-diazinane ring adopts an envelope conformation. In the crystal, pairwise N-H⋯N hydrogen bonds generate centrosymmetric dimers featuring (12) motifs and C-H⋯N contacts connect these dimers to form double layers lying parallel to (001). Weak C-H⋯π and N-H⋯π inter-actions help to consolidate the double layers and van der Waals inter-actions occur between layers.