(1E,2E)-2-Methyl-3-phenyl­acryl­aldehyde thio­semicarbazone

In the crystal structure of the title compound, C11H13N3S, mol­ecules form centrosymmetric synthons with an R 2 2(8) graph-set motif, linked by pairs of N—H⋯S hydrogen bonds. The synthons are connected through further N—H⋯S hydrogen bonds, extending the packing to form a two-dimensional network lying parallel to (001). In addition, C—H⋯π inter­actions are observed

Structural characterization and colour of MgxCu3-xV2O8 (0<=x<=3) and MgyCu2-yV2O7 (0<=y<=2) compositions

In this study, MgxCu3-xV2O8 (0 ≤ x ≤ 3) and MgyCu2-yV2O7 (0 ≤ y ≤ 2) compositions were synthesized by the chemical coprecipitation method and characterized by X-ray diffraction, UV–vis-NIR spectroscopy and CIE L* a* b* parameters measurements. Melting points of compounds Cu3V2O8 and Cu2V2O7 are 780°C and 790°C, respectively. The addition of small amounts of Mg (II), MgxCu3-xV2O8 (x < 1.0) and MgyCu2-yV2O7 (y < 0.5) fused compositions, was not sufficient to stabilize structures at 800°C. For the Mg2CuV2O8 (x = 2.0) composition fired at 800°C, Mg (II) incorporated into the monoclinic Cu3V2O8 structure stabilizes this crystalline phase. At 1000°C, orthorhombic Mg3V2O8 structure from this composition was obtained. Solid solutions with orthorhombic symmetry were detected from the prepared compositions fired at 1000°C when 1.0 ≤ x ≤ 3.0. The difference of coloration of Cu, Mg vanadates might be explained by the presence of a strong charge transfer band in visible spectra

5-Hy­droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate

In the title compound, C17H14O3·H2O, the six-membered ring, which adopts a half-chair conformation, makes a dihedral angle of 24.3 (2)° with the phenyl ring. In the crystal, the components are linked by O—H⋯O hydrogen bonds involving the water mol­ecule, and the hy­droxy and carbonyl groups of the organic compound. These inter­actions form a square-like supra­molecular synthon unit which propagates as chains parallel to the crystallographic b axis. A C—H⋯O interaction also occurs

1-(4-Carb­oxy­butan-2-yl­idene)-4-phenyl­thio­semicarbazide

The mol­ecule of the title compound, C12H15N3O2S, which belongs to the family of thio­semicarbazones, containing an acid group, adopts a semi-closed conformation with an intramolecular N—H⋯N hydrogen bond. In the crystal, molecules are linked by strong N—H⋯O and O—H⋯S hydrogen bonds between the acid group and thiosemicarbazone unit, with one additional intermolecular hydrogen C—H⋯O interaction. These three interactions form R 2 2(8) and a R 2 1(7) rings and the molecules related by the c-glide plane are linked into a zigzag chain along [001]

New lanthanide phosphonates structures obtained using XRPD data

5 páginas, 2 figuras, 3 tablas.-- Trabajo presentado como póster a la 12th European Powder Diffraction Conference (EPDIC 2010).-- et al.Seven lanthanide diphosphonates, [H3N(CH2)4NH3]Ln[hedpH][hedpH2] (Ln = La, Pr, Sm, Eu, Gd, Tb, Er; hedp = 1 hydroxyethylidenediphosphonate) have been synthesized with 1,4-diaminobutane as the template. The structures were obtained starting from the known X-ray single crystal model of lanthanum compound, with the X-ray powder diffraction data for these seven compounds. H-atoms were introduced using geometrical considerations. Rietveld fits of the experimental diffractograms confirm the isostructurality of all compounds in the series, and show the different behaviour between the two distances M-M existing in the structures.Financial support from Spanish MICINN (MAT2006-01997, MAT2010-15095 and ‘Factoría de Cristalización’ Consolider Ingenio 2010), Un-iversidad de Oviedo and Banco Santander is acknowledged. FEDER support is also acknowledged.Peer reviewe

Bis(2,2′-bipyridyl-κ2 N,N′)dichlorido­rhodium(III) perchlorate

The asymmetric unit of the title compound, [RhCl2(C10H8N2)2]ClO4, consists of one unit of the cationic complex [RhCl2(bipy)2]+ and one uncoordinated perchlorate anion. The RhIII atom is coordinated by four N atoms from two bipyridyl ligands and two Cl atoms, forming a distorted octa­hedral environment. The Cl ligands are cis. Two intramolecular C—H⋯Cl hydrogen bonds occur in the cationic complex . In the crystal, mol­ecules are linked together by a hydrogen-bond network involving the H atoms of bipyridyl rings and perchlorate anions. An O atom of the perchlorate anion is disordered over two sites, with an occupancy-factor ratio of 0.78 (3):0.22 (3)

Crystal structure of (E)-1-{[(3,5-dimethylphenyl)imino]methyl}naphthalen-2-ol

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence.The title compound, C19H17NO, has an E conformation about the N=C bond. The mol­ecule is relatively planar, with the benzene ring and naphthalene ring plane being inclined to one another by 4.28 (10)°. There is an intra­molecular O—H⋯N hydrogen bond generating an S(6) ring motif. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds, forming chains propagating along [100]. Within the chains there are π–π inter­actions involving the benzene ring and the naphthalene ring system of an adjacent mol­ecule [inter-centroid distance = 3.6405 (14) Å].We thank the Spanish Ministerio de Economía y Competitividad (MAT2013-40950-R and FPI grants: BES-2011-046948 to author MSMA) and the ERDF for financial support.Peer Reviewe

Synthesis, structures and luminescence properties of metal-organic frameworks based on lithium-lanthanide and terephthalate

Metal-organic frameworks assembled from Ln(III), Li(I) and rigid dicarboxylate ligand, formulated as [LiLn(BDC)2(H2O)·2(H2O)] (MS1-6,7a) and [LiTb(BDC)2] (MS7b) (Ln = Tb, Dy, Ho, Er, Yb, Y0.96Eu0.04, Y0.93Tb0.07, and H2BDC = terephthalic acid), were obtained under hydrothermal conditions. The isostructural MS1-6 crystallize in monoclinic P21/c space group. While, in the case of Tb3+ a mixture of at least two phases was obtained, the former one (MS7a) and a new monoclinic C2/c phase (MS7b). All compounds have been studied by single-crystal and powder X-ray diffraction, thermal analyses (TGA), vibrational spectroscopy (FTIR), and scanning electron microscopy (SEM-EDX). The structures of MS1-6 and MS7a are built up of inorganic-organic hybrid chains. These chains constructed from unusual four-membered rings, are formed by edge- and vertex-shared {LnO8} and {LiO4} polyhedra through oxygen atoms O3 (vertex) and O6-O7 (edge). Each chain is cross-linked to six neighboring chains through six terephthalate bridges. While, the structure of MS7b is constructed from double inorganic chains, and each chain is, in turn, related symmetrically to the adjacent one through the c glide plane. These chains are formed by infinitely alternating {LiO4} and {TbO8} polyhedra through (O2-O3) edges to create Tb–O–Li connectivity along the c-axis. Both MS1-6,7a and MS7b structures possess a 3D framework with 1D trigonal channels running along the a and c axes, containing water molecules and anhydrous, respectively. Topological studies revealed that MS1-6 and MS7a have a new 2-nodal 3,10-c net, while MS7b generates a 3D net with unusual β-Sn topology. The photoluminescence properties Eu- and Tb-doped compounds (MS5-6) are also investigated, exhibiting strong red and green light emissions, respectively, which are attributed to the efficient energy transfer process from the BDC ligand to Eu3+ and Tb3+.Financial support from Spanish Ministerio de Economía y Competitividad (MINECO-13-MAT2013-40950-R, and FPI grant BES-2011-046948 to MSM.A.) and Gobierno del Principado de Asturias (GRUPIN14-060), and El Fondo Europeo de Desarrollo Regional (FEDER) are acknowledged.We acknowledge support by the CSIC Open Access Publication Initiative through its Unit of Information Resources for Research (URICI)

4-(Methyl­amino)benzoic acid

The asymmetric unit of the title compound, C8H9NO2, contains three crystallographically independent mol­ecules, which are essentially planar, the carboxyl O atoms deviating by 0.091 (3), 0.101 (2) and 0.164 (3) Å from the mean plane through the non-H atoms. In the crystal, all three mol­ecules form O—H⋯O hydrogen-bonded about inversion centers, forming eight-membered rings with graph-set notation R 2 2(8). In addition, N—H⋯O hydrogen bonding and C—H⋯π inter­actions reinforce the packing