metal-organic compounds
The crystal structure of the title compound, [Nd(H2O)9]Cl3·2C6H12N4·4H2O, is the first neodymium chloride complex with a cage adamanzane without any chloride ion in the lanthanide coordination sphere. The Nd-O distances range from 2.4425 (17) to 2.5635 (18) Å, and the neodymium ion has the coordination geometry of a capped square antiprism distorted toward a tricapped trigonal prism. The cations, [Nd(H2O)9]3+, are connected via hydrogen bonds to hexamethylenetetramine molecules, water molecules and chloride ions.
organic compounds
The asymmetric unit of the title compound, C16H21O5PS, contains two symmetry-independent molecules. The overall molecular geometry of both molecules is very similar. The coumarin ring systems are only insignificantly distorted from planarity. In the structure, C—HO and C—Hπ weak intermolecular hydrogen bonds can be found. In addition, stacking interactions between the rings are present.
metal-organic compounds
In the title compound, [Pt(C14H19N4S)Cl], the azepane ring is partially disordered over two sites. The Pt atom coordination adopts a slightly distorted square-planar geometry. The 2-acetylpyridine thiosemicarbazone moiety is very close to planar. The azepane ring has a (−sc, +sc)3, +sp conformation (sc is synclinal and sp is synperiplanar) and, for the minor disorder component, a (−sc, +sc)3, −sp conformation. The computed bond valences for the Pt centre are νPt—N = 0.467 and 0.587, νPt—S = 0.60, and νPt—Cl = 0.48 v.u. (valence units), and thus the computed valence of the Pt atom is 2.13 v.u. π–π stacking interactions give rise to π-bonded dimers.
organic compounds
The non-H atoms of the title compound, C8H10N2O2, are almost coplanar. The conformation is stabilized by an intramolecular N—HO hydrogen bond. The molecules are linked via intermolecular N—HO hydrogen bonds into a one-dimensional chain. There are intermolecular C—Hπ interactions and ππ stacking interactions present in the structure. The hydrogen-bonded chain is expanded into a three-dimensional net via stacking interactions.
organic compounds
The asymmetric unit of the title compound, C27H27OPS2·0.5C6H6, is composed of a heterocyclic molecule and one half-benzene ring, the solvent molecule being located on a centre of inversion. The 16-membered ring has an irregular −ap, −ap, +sp, +ac, −sc, +ap, −ap, −sc, +ap, −ap, +sc, +sp, −ap, +ap, +sp, −ac conformation. The phosphorus tetrahedron exhibits its usual deformation, with C—P—C angles smaller than the usual tetrahedral value of 109.5° and O—P—C angles greater than this value. In the structure, there is a stacking interaction between the P-bonded benzene rings. Furthermore, there is a weak intermolecular C—HO hydrogen bond. In this way, a hydrogen-bonded chain is created along the crystallographic a axis.
organic compounds
In the title racemic compound, C9H19O5P, all interatomic C—C and C—OH distances can be considered normal. The P—O and P=O distances are 1.5583 (8) and 1.5003 (7) Å, respectively. The rings are cis-fused, the phospholane ring exists in a slightly distorted envelope conformation and the cyclohexane ring adopts an almost ideal chair conformation. All hydroxyl groups are anti to the P=O bond. Molecules are linked via medium-strength intermolecular O—HO hydrogen bonds into a three-dimensional network.