The structure of the title compound is characterized by the presence of two different anions, (PO4)3− and (P2O7)4− with an eclipsed conformation. The crystal structure consists of edge-sharing [NiO6] octahedra forming an [Ni3O14] chain running parallel to . Adjacent chains are connected through edges and apices to PO4 and P2O7 groups in such a way as to build a three-dimensional host lattice. The resulting framework presents intersecting tunnels running along  and  in which the 11-coordinated potassium cation is located. The crystal structure of this new phosphate probably represents a new structural type.
The title compound, sodium potassium trialuminium tetrakis(orthoarsenate), was prepared by solid-state reactions. The anionic framework consists of corrugated layers parallel to (010) and is made up of corner-sharing AlO6 octahedra (site symmetries .2. and 2/m..) that are connected to isolated AsO4 tetrahedra (site symmetries .2. and m..) through edge- and corner-sharing. The alkali cations are occupationally disordered. The two K+ cations [site symmetries .2. and m..; occupancies 0.314 (7) and 0.035 (12)] are situated in the interlayer space, whereas the smaller Na+ cations [both with site symmetry m..; occupancies = 0.725 (14) and 0.112 (14)] are located in the cavities of the anionic framework. The K+ cations are surrounded by six and seven O atoms, the Na+ cations by seven and nine O atoms. The resulting coordination polyhedra of the two types of cations are highly distorted.
In the title compound, [Mg(C3H2O4)(H2O)3]n, the metal atom is in an octahedral environment. The octahedra are connected by malonate anions, forming chains along the c-axis direction. O—H⋯O hydrogen bonds link these chains into a three-dimensional network.
The title binuclear compound, [Cu2(CH3COO)4(C6H4N2)2], lies about an inversion center, with the CuII cation bridged by four acetate anions and coordinated by a pyridine N atom in a distorted square-pyramidal geometry. The Cu⋯Cu distance is 2.5997 (15) Å. In the crystal, molecules are linked by weak C—H⋯O and C—H⋯N hydrogen bonds into a three-dimensional supramolecular architecture. The crystal studied was a non-merohedral twin with a minor twin component of 4.1 (1)%.
In the title compound, [ZnCl2(C6H8N2O2S)2], the ZnII ion lies on a twofold rotation axis and has a slightly distorted tetrahedral coordination geometry, involving two Cl atoms and two N atoms from the amino groups attached directly to the benzene rings [Zn—Cl = 2.2288 (16) Å and Zn—N = 2.060 (5) Å]. The dihedral angle between the benzene rings is 67.1 (3)°. The crystal packing can be describe as layers in a zigzag arrangement parallel to (001). The amine H atoms act as donor atoms and participate in intermolecular N—H⋯O and N—H⋯Cl hydrogen bonds, forming a three-dimensional network.
In the title compound, C10H9NO3, the dihedral angle between the benzofuran ring system (r.m.s. deviation for the non-H atoms = 0.009 Å) and the –C—C(O)—N– segment is 83.76 (1)°. In the crystal, molecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, generating (001) sheets, which feature C(4) and C(10) chains.
In the title molecule, C17H12F2O3, the dihedral angle between the benzene rings is 8.6 (2)°. In the crystal, two pairs of O—H⋯O hydrogen bonds connect the molecules into inversion dimers. In addition, weak C—H⋯F hydrogen bonds link the dimers into a two-dimensional network parallel to (10-4). The carbonyl O atom is an acceptor for two weak intramolecular hydrogen bonds.
The molecule of the title hydrazine derivative, C15H14N4O6, is essentially planar, the dihedral angle between the substituted benzene rings being 2.25 (9)°. The ethoxy and hydroxy groups are almost coplanar with their bound benzene ring [r.m.s. deviation = 0.0153 (2) Å for the ten non-H atoms]. Intramolecular N—H⋯O and O—H⋯Oethoxy hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal, molecules are linked by O—H⋯Onitro hydrogen bonds into chains propagating in . Weak aromatic π–π interactions, with centroid–centroid distances of 3.8192 (19) and 4.0491 (19) Å, are also observed.
In the title compound, C17H13F2NO2, the 2,2-difluorobenzyloxy residue assumes an E configuration with respect to the benzofuran system. The benzene ring makes a dihedral angle of 61.70 (4)° with the fused ring system (r.m.s. deviation = 0.008 Å). In the crystal, molecules are connected by weak C—H⋯F hydrogen bonds into chains extending parallel to the b-axis direction.
The asymmetric unit of the title organic–inorganic molecular salt, C6H18N2
2−, consists of one anion and one cation together with half of each of two cations and two anions located on inversion centres. The SiF6
2− octahedral anions are arranged to form sheets parallel to (011), which are linked into a three-dimensional network by the organic cations through N—H⋯F hydrogen bonds.
In the title compound, C12H12N2O2, synthesized by ammonolysis of 3-phenylisoxazole-5-carbonyl chloride in dichloromethane, the dihedral angle between the isoxazole ring and the phenyl ring is 14.05 (7)°. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of C—H⋯O hydrogen bonds, generating rings of graph-set motif R
The asymmetric unit of the title compound, 2C18H16N4O2·H2O, consists of two organic molecules and one solvent molecule. The symmetry-independent organic molecules have slightly different conformations: the 1,2,4-triazole ring forms dihedral angles of 84.61 (4), 89.68 (5) and 22.38 (6)°, respectively, with the 2-propenecarbocylic, p-tolyl and 4-pyridyl groups in one independent molecule, and 71.35 (4), 82.13 (5) and 24.82 (6)°, respectively, in the second. In the crystal, molecules ralated by the 21 screw axes are assembled via O—H⋯N and O—H⋯O hydrogen bonds into infinite chains and these are linked by further O—H⋯N hydrogen bonds into undulating sheets parallel to the bc plane. Adjacent sheets are connected by weak C—H⋯O interactions, forming a three-dimensional structure.
The asymmetric unit of the title compound, C26H25ClN2O3, contains two independent molecules (A and B). The conformation of the two molecules differs essentially in the dihedral angle involving the two benzene rings. They are inclined to one another by 52.47 (10) in A and by 31.75 (11)° in B. In both molecules, the six-membered piperidin-3-one rings have chair conformations. In molecule A, all four five-membered rings have twist conformations. In molecule B, only three of the four five-membered rings have twist conformations. The fourth, of the inden-1-one moiety, has an envelope conformation with the spiro C atom, bonded to the N atom of the pyrrolidine ring, as the flap. A weak intramolecular O—H⋯N hydrogen bond occurs in each independent molecule while a C—H⋯O interaction is also observed in molecule A. In the crystal, pairs of O—H⋯O hydrogen bonds link the molecules, forming inversion dimers with graph-set motif R
2(12). These dimers are further interconnected by C—H⋯O and C—H⋯π interactions, forming a three-dimensional network.
In the title compound, C13H11ClN4O3, the phenyl and pyrrolyl ring are linked by an acyl–hydrazone (R
2C=N—N—CO—R) group, forming a slightly bent molecule: the dihedral angle subtended by the the phenyl and pyrrolyl rings is 8.46 (12)°. In the crystal, the three-dimensional supramolecular structure is assembled by N—H⋯O hydrogen bonding. Molecular sheets are formed parallel to (101) in a herringbone arrangement by weak van der Waals interactions; weak π–π [centroid–centroid phenyl–phenyl and pyrrolyl–pyrrolyl distances of 3.7816 (3) and 3.8946 (2) Å, respectively] interactions occur between neighbouring sheets.
In the title compound, C11H6FN3O5, the dihedral angle between the aromatic rings is 72.4 (3)°. The NO2 groups form dihedral angles of 40.8 (2) and 4.8 (2)°, respectively, with the attached pyridine and benzene rings. The crystal structure features π–π stacking between centrosymmetrically related pairs of pyridine rings [centroid–centroid separation = 3.800 (3) Å].
In the title compound, C14H10N4O6S, the indazole ring system is almost perpendicular to the tosyl ring, as indicated by the dihedral angle of 89.40 (9)° between their planes. The dihedral angles between the indazole system and the nitro groups are 57.0 (3) and 31.9 (3)°. In the crystal, molecules are linked by C—H⋯O interactions, forming chains running along .
Corrigendum to Acta Cryst. (2013), E69, o187.
The title in the paper by Elgemeie et al. [Acta Cryst. (2013), E69, o187] is corrected.
Crystals of NiUS3 were obtained from the reaction of the elements Ni, U, S, and of GeI2 in a CsCl flux at 1173 K. Nickel(II) uranium(IV) trisulfide, NiUS3, has orthorhombic (Pnma) symmetry and crystallizes in the GdFeO3 structure type. The compound has a perovskite ABQ
3-like structure, with U occupying the interstitial sites of a NiS6 framework. The U atoms are coordinated by eight S atoms in a distorted bicapped trigonal–prismatic arrangement. The Ni atoms are coordinated by six S atoms in a slightly distorted octahedral arrangement. The asymmetric unit comprises one U site (site symmetry .m.), one Ni site (-1), and two S sites (1 and .m.).
The title compound, C10H12O8, a prospective raw material for colourless polyimides which are applied to electronic and microelectronic devices, lies about an inversion centre and the cyclohexane ring adopts a chair conformation. Two crystallographycally independent carboxylic acid groups on adjacent C atoms are in equatorial positions, resulting in a mutually trans conformation. In the crystal, O—H⋯O hydrogen bonds around an inversion centre and a threefold rotoinversion axis, respectively, form an inversion dimer with an R
2(8) motif and a trimer with an R
In the title compound, C14H11FO2, the two benzene rings are not coplanar, with a dihedral angle of 57.45 (12)° between their planes. In the crystal, molecules are linked by an O—H⋯O hydrogen bond, forming a 21 helical chain along the b axis.
In the title compound, C18H13ClN2OS·CH3OH, the dihedral angle between the benzimidazole group and the naphthyloxy moiety [82.89 (5)°] very near to orthogonality. The H atom in the five-membered ring is disordered with equal occupancies at the two N atoms and the H atom of the methanolic hydroxy group is disordered with equal occupancies over two sites at the O atom. The methanol molecule acts as a hydrogen-bond acceptor for the amino H atom and donates a hydrogen bond to the nonprotonated ring N atom. As a result, chains are formed running along the a axis.
In the title compound, C17H24N2O5S2, the indole ring system is nearly planar [maximum deviation = 0.032 (1) Å] and the cyclohexene ring has a half-chair conformation. In the crystal, N—H⋯O hydrogen bonds link the molecules into a chain running along the b-axis direction. Weak C—H⋯O hydrogen bonds and weak C—H⋯π interactions are observed between the chains.
The asymmetric unit of the title compound, C17H14N2S, consists of two crystallographically independent molecules with similar conformations. The dihedral angles between the phenyl rings are 89.32 (5) and 82.80 (5)° in the two molecules. In the crystal, molecules are linked by C—H⋯π interactions, forming a three-dimensional network.
The absolute configuration of the title compound, C16H24O, has been deduced from the chemical pathway. The six-membered ring has a roughly half-chair conformation with the quaternary C atom as the flap. The seven-membered ring displays a chair conformation. In the crystal, there is a weak C—H⋯O hydrogen bond between the methylene group of the cyclopropane ring and the carbonyl group of a screw-axis-related molecule, which builds up a zigzag-like chain along the b-axis direction.
The title compound, C18H23N2O2
+·Cl−, crystallizes with two independent cations and anions per cell. Each cation has twofold rotational disorder about the linking vinyl groups but with unequal occupancies [0.963 (5):0.037 (5) and 0.860 (8):0.140 (8)]. The two independent cations are close to being related by an inversion centre but the data does not support the expected centrosymmetric space-group assignment. The conclusion is that the differing rotational disorder has lead to an overall non-centrosymmetric lattice. In the crystal, the molecules pack in layers parallel to (133) and (-13-3), chain-linked with motif C
2(7) by the dihydroxypropyl O–H⋯Cl⋯H–O hydrogen bonds. Other lattice binding is provided by O—H⋯Cl, C—H⋯Cl and C—H⋯N interactions.