metal-organic compounds
Open access
In the title compound, [Cu(C6H3N2O5)2(H2O)2], the CuII ion, lying on an inversion center, is coordinated by two pyridine N atoms and two carboxylate O atoms from symmetry-related two 4-hydroxy-5-nitropyridine-2-carboxylate ligands, and two water molecules, forming a distorted octahedral geometry. In the crystal, O—HO hydrogen bonds link the complex molecules. One of the H atoms of the water molecule is disordered over two sites of equal occupancy.
organic compounds
Open access
In the title compound, C16H11Cl2F3N4OS2, the benzene ring and the thiazole ring make dihedral angles of 83.2 (3) and 78.3 (3)°, respectively, with the pyrazole ring. The crystal packing shows SN contacts of 3.309 (2) Å.
metal-organic compounds
Open access
In the title compound, {[Ca3Eu2(C7H3NO4)6(H2O)12]·10.5H2O}n, the EuIII ion is nine-coordinated by three tridentate pyridine-2,6-dicarboxylate (PDA) ligands, forming a [Eu(PDA)3]3− building block. The Ca2+ ions adopt two types of coordination geometries. One Ca2+ ion, lying on a twofold rotation axis, is eight-coordinated by four carboxylate O atoms from four PDA ligands and four water molecules, and the other two Ca2+ ions, each lying on an inversion center, are six-coordinated by two carboxylate O atoms from two PDA ligands and four water molecules. The carboxylate groups bridge the EuIII and Ca2+ ions into a three-dimensional porous framework, with channels extending along [010] and [001] in which lattice water molecules are located. Two of the lattice water molecules are disordered over two sets of sites with equal occupancy and one water molecule is 0.25-occupied. Numerous O—HO hydrogen bonds involving the water molecules and carboxylate O atoms are present.
organic compounds
Open access
The title compound, C13H13ClN2O3, was synthesized in the course of the search for novel bioactive pyrimidine derivatives. The C-O-C angle at the phenoxy O atom is widened to 119.87 (18)°. The dihedral angle between the pyrimidine and benzene rings is 64.2 (3)°.
organic compounds
Open access
In the title molecule, C16H16BrN5O3S, the 1,3,4-thiadiazole ring is situated under the benzene ring, forming a dihedral angle of 86.6 (2)°, and with an SCg (where Cg is the centroid of the benzene ring) distance of 3.312 (3) Å. The benzene and 1,3,4-thiadiazole rings form dihedral angles of 83.8 (3) and 57.7 (2)°, respectively, with the central pyrazole ring. In the absence of classical hydrogen bonds, the crystal packing is stabilized by a C—Hπ interaction..