249 research outputs found
2-Sulfanylidene-1,2-dihydropyridine-3-carbohydrazide
All non-H atoms of the title compound, C6H7N3OS, which exists in the thione form, lie in a common plane (r.m.s. of non-H atoms = 0.08 Å). The amino group of the –NH–NH2 substituent forms an intramolecular hydrogen bond to the S atom. The terminal –NH2 group is pyramidally coordinated; it forms a weak N—H⋯O and a weak N—H⋯S hydrogen bond. Furthermore, the N atom is an acceptor for a C—H⋯N contact. The amino group of the ring is a hydrogen-bond donor to the carbonyl O atom of an adjacent molecule, this interaction giving rise to a linear chain motif running along the b axis
N′-[(1E)-(2,6-Difluorophenyl)methylidene]thiophene-2-carbohydrazide
In the title compound, C12H8F2N2OS, the thienyl ring is disordered over two positions, with the S atom of the major component [occupancy = 75.03 (18)%] oriented away from an ortho-F atom of the benzene ring. The molecule is nearly planar, the dihedral angle between the thiophene and benzene rings being 6.19 (18) (in the major component) or 3.5 (6)° (in the minor component). The azomethine C=N double-bond in the molecule is of an E configuration. In the crystal, molecules are linked by pairs of N—H⋯O hydrogen bonds, generating inversion dimers
Di-n-butylammonium 2-[(3,5-di-tert-butyl-4-hydroxybenzyl)sulfanyl]benzoate
The title salt, C8H20N+·C22H27O3S−, is a proton-transfer compound derived from the recently reported parent carboxylic acid [Alhadi et al. (2010). Acta Cryst. E66, o1787] by the addition of a second equivalent of di-n-butylamine, yielding the di-n-butylammonium carboxylate salt. The structure of the carboxylate anion resembles that of the parent carboxylic acid. The main difference lies in the position of the H atom in the 4-hydroxy group. In the anion the O—H bond is perpendicular, rather than parallel, to the benzyl ring. This position appears to facilitate hydrogen bonding to an O atom of the carboxylate group of a symmetry-related anion. In addition, there are three N—H⋯O hydrogen bonds. In contrast, the neutral species hydrogen bonds via a carboxylic acid dimer. The dihedral angle between the benzene rings in the anion is 79.19 (7)°
catena-Poly[[penta-μ-benzoato-μ-chlorido-dioxanedineodymium(III)] dioxane 2.5-solvate]
The asymmetric unit of the title compound, [Nd2(C6H5COO)5Cl(C4H8O2)]·2.5C4H8O2, consists of two NdIII ions bridged by one Cl− ion, five benzoate ions and one coordinating 1,4-dioxane molecule. One NdIII ion is nine-coordinate, with a very distorted monocapped square-antiprismatic geometry. It is coordinated by two chelating carboxylate groups, three monodentate carboxylate groups, one chloride ion and one dioxane molecule. A second independent NdIII ion is eight-coordinated in a distorted square-antiprismatic geometry by one chelating carboxylate group, five monodentate carboxylate groups and one chloride ion. The chains of the extended structure are parallel to the crystallographic b axis. There is a small amount of void space which is filled with five disordered dioxane solvent molecules per unit cell. The intensity contribution of the disordered solvent molecules was removed by applying the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148–155]
Cu2ZnSiS4
Single crystals of Cu2ZnSiS4, dicopper(I) zinc silicon tetrasulfide, have been prepared via high-temperature solid-state synthesis. Cu2ZnSiS4 was found to have the wurtz-stannite structure type, like that of Li2CdGeS4, Li2CdSnS4, and Cu2CdSiS4. Each sulfur anion is tetrahedrally coordinated by two Cu cations, one Si cation, and one Zn cation, forming a three-dimensional honeycomb structure. When viewed along the c axis, the atoms are aligned in rows in which each cation alternates with the sulfur anions
Tetrakis(4-cyanopyridine)palladium(II) bis(trifluoromethanesulfonate)
The title salt, [Pd(C6H4N2)4](CF3SO3)2, comprises Pd(4-cyanopyridine)4 dications balanced by two trifluoromethanesulfonate anions. The PdII atom lies in a square-planar geometry defined by four N atoms which form equivalent Pd—N interactions. The 4-cyanopyridine ligands are twisted out of the N4 plane, forming dihedral angles ranging from 66.5 (2) to 89.9 (2)°. In the crystal packing, columns of edge-to-edge dications define channels in which reside the anions. A range of C—H⋯N and C—H⋯O hydrogen-bonding interactions stabilizes the crystal packing
3,4-Dimethyl-N-(2,4,5-trimethoxybenzylidene)-1,2-isoxazol-5-amine
In the title compound, C15H18N2O4, the aromatic rings on the azomethine double bond are trans to each other [C—C=N—C torsion angle = −178.29 (12)°] and they are approximately coplanar, the dihedral angle between them being 5.0 (1)°
2-(4-Chlorophenyl)-3,5-dimethyl-1λ6,2-thiazine-1,1-dione
In the title compound, C12H12ClNO2S, the S atom is displaced by 0.708 (2) Å out of the plane through the remaining atoms of the thiazine ring (r.m.s. deviation = 0.0823 Å). This plane makes a dihedral angle of 89.33 (7)° with the phenyl ring. In the crystal, adjacent molecules are connected through C—H⋯O hydrogen bonds into layers parallel to the bc plane
N,N,N′,N′-Tetraethylpyridine-2,6-dicarboxamide
The title compound, C15H23N3O2, crystallizes with two molecules in the asymmetric unit which are linked by a C—H⋯N hydrogen bond. In the crystal, molecules are connected via weak C—H⋯O and C—H⋯N hydrogen bonds between the amide O atoms and ethyl chains and between pyridine N atoms and aromatic H atoms in para positions. C—H⋯π interactions also occur
9-(5-Bromo-2-hydroxyphenyl)-10-(2-hydroxypropyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
The dihydropyridine ring in the title compound, C26H32BrNO4, adopts an envelope conformation with the methine C atom representing the flap. The cyclohexenone rings also adopt envelope conformations. The phenolic hydroxy group forms an intramolecular hydrogen bond to one of the two keto O atoms. Intermolecular weak C—H⋯O hydrogen bonding is present in the crystal structure. The hydroxypropyl group is disordered over two sets of sites with an occupancy ratio of 0.636 (6):0.364 (6)
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