-Poly[barium(II)-μ-(dimethyl sulfoxide)-κ :-bis-(μ-2,4,6-tri-nitro-phenolato-κ , : , )].

The asymmetric unit of the title barium coordination polymer, [Ba(CHNO)(CHOS)] , consists of a barium cation (site symmetry ) and a dimethyl sulfoxide (DMSO) ligand (point group symmetry ) and a 2,4,6-tri-nitro-phenolate anion located in general positions. The S atom and the methyl group of DMSO are disordered over two sets of sites. The DMSO ligand bridges a pair of Ba atoms resulting in a chain extending parallel to the axis.

Crystal structures of two isostructural bivalent metal -benzoyl-glycinates.

The crystal structures of two coordination compounds of -benzoyl-glycine, -poly[[[di-aqua-bis-(-benzoyl-glycinato)cobalt(II)]-μ-aqua] dihydrate], {[Co(CHNO)(HO)]·2HO} , , and -poly[[[di-aqua-bis-(-benzoyl-glycinato)nickel(II)]-μ-aqua] dihydrate], {[Ni(CHNO)(HO)]·2HO} , , are described. The structures of and were reported previously [Morelock (1979). , 4858-4866] and redetermined in this work to determine the H-atom coordinates.

Di-μ-aqua-bis-[aqua-(2,2'-bi-pyridine)(4-nitro-benzoato)cobalt(II)] bis-(4-nitro-benzoate).

The title compound, [Co(CHNO)(CHN)(HO)](CHNO), consists of a centrosymmetric bimetallic complex charge-balanced by free 4-nitro-benzoate anions. The Co ion exhibits a distorted -CoNO octa-hedral coordination environment and the Co⋯Co separation is 3.326 (2) Å.

Diaquatetra-kis(μ-3-meth-oxy-benzoato-κ : )dicopper(II).

The asymmetric unit of the binuclear title compound, [Cu(CHO)(HO)], comprises two halves of diaquatetra-kis-(μ-3-meth-oxy-benzoato-κ : )dicopper(II) units. The paddle-wheel structure of each complex is completed by application of inversion symmetry, with the inversion centre situated at the midpoint between two Cu atoms in each dimer. The two Cu atoms of each centrosymmetric dimer are bridged by four 3-meth-oxy-benzoate anions resulting in Cu⋯Cu separations of 2.

2-Amino-anilinium 4-methyl-benzene-sulfonate.

In the extended structure of the title mol-ecular salt, CHN ·CHOS, the cations and anions are linked by N-H⋯O hydrogen bonds to generate [010] chains.

Benzene-1,2-diaminium bis-(4-methyl-benzene-1-sulfonate).

The structure of the title salt, CHN ·2CHOS, consists of a unique benzene-1,2-diaminium dication charge balanced by a pair of crystallographically independent 4-methyl-benzene-1-sulfonate anions. The cations and anions are inter-linked by several N-H⋯O hydrogen bonds.

Nanostructured tungsten sulfides: insights into precursor decomposition and the microstructure using X-ray scattering methods.

Herein we present an in-depth study of precursor derived tungsten sulfides, with a focus on their micro- and local structures. We prepared a new tetrathiotungstate based precursor (N2H5)2WS4 and unveiled the details of its unique decomposition mechanism by a combination of in situ and ex situ analytical techniques. Upon heating the precursor, a new compound with composition (NH4)(N2H5)WS4 is formed by the decomposition of one hydrazinium molecule.

Comments on "Synthesis aspects, structural, spectroscopic, antimicrobial and room temperature ferromagnetism of zinc iodide complex with Schiff based ligand" by K. Shakila and S. Kalainathan, Spectrochim. Acta 135 A (2015) 1059-1065.

Shakila and Kalainathan report on the synthetic and structural aspects of a zinc iodide complex with Schiff based ligand, which exhibits room temperature ferromagnetism. In this comment, many points of criticism, concerning the characterization of this so called zinc iodide complex of Schiff based ligand are highlighted to prove that the title paper is completely erroneous.

On the existence of 'bis (L-glutamine) potassium nitrate' crystal.

The slow evaporation of an aqueous solution containing L-glutamine and potassium nitrate in 2:1 mol ratio results in the fractional crystallization of L-glutamine and not the formation of a so called bis (L-glutamine) potassium nitrate as reported recently by Hanumantharao and Kalainathan (2012).

Comment on the paper: "Crystal growth and spectroscopic characterization of Aloevera amino acid added lithium sulfate monohydrate: a non-linear optical crystal".

The title paper (Manimekalai et al., 2014) reports a slow evaporation solution growth of a so called 'Aloevera amino acid added lithium sulfate monohydrate' (AALSMH) crystal. In this communication, many points of criticism, concerning the crystal growth, NMR spectrum and X-ray powder pattern of this so called AALSMH nonlinear optical crystal are highlighted.

Reinvestigation of growth of 'L-valine zinc sulphate' crystal.

A reinvestigation of the growth of l-valine zinc sulphate crystal is reported. The slow evaporation of an aqueous solution containing l-valine and zinc sulphate heptahydrate results in the fractional crystallization of l-valine and not the organic inorganic hybrid nonlinear optical l-valine zinc sulphate crystal, as reported by Puhal Raj and Ramachandra Raja (2012).

Comment on the paper "Synthesis, growth, structural, spectral, thermal, chemical etching, linear and nonlinear optical and mechanical studies of an organic single crystal 4-chloro 4-nitrostilbene (CONS): a potential NLO material" by P.M. Dinakaran, S. Kalainathan [Spectrochim. Acta A 111 (2013) 123-130].

We argue that (trans)-4-chloro-4'-nitrostilbene is not a new organic nonlinear optical material as claimed by Dinakaran and Kalainathan [P.M. Dinakaran, S.

Reinvestigation of growth of thiourea urea zinc sulfate crystal.

Reinvestigation of the growth of thiourea urea zinc sulfate crystal is reported. Aqueous reaction of thiourea, urea and zinc sulfate in 1:1:1 mol ratio results in the formation of the well known [Zn(tu)3(SO4)] (1) (tu=thiourea) crystal and not the 'so called' novel semiorganic nonlinear optical thiourea urea zinc sulfate (2) crystal, as claimed by Redrothu Hanumantha Rao, S. Kalainathan, Spectroscopic investigation, nucleation, growth, optical, thermal and second harmonic studies of novel semi-organic nonlinear optical crystal - Thiourea urea zinc sulfate, Spectrochim.

On the existence of 'L-alanine cadmium bromide'.

It is argued that the recently reported nonlinear optical crystal L-alanine cadmium bromide, grown by slow solvent evaporation method at room temperature [P. Ilayabarathi, J. Chandrasekaran, Spectrochim.

Can zinc(II) ions be doped into the crystal structure of L-proline cadmium chloride monohydrate?

The bivalent metals Cd(II) and Zn(II) exhibit different stereochemical requirements for the set of chloride and L-proline ligands, which precludes the doping of Zn(II) ions into the crystal structure of dichloro(l-proline)cadmium(II) hydrate also referred to as L-proline cadmium chloride monohydrate (L-PCCM). Hence, the reported claim of growth of zinc doped L-PCCM crystals namely Zn(0.4 mol):LPCCM and Zn(0.

Reinvestigation of growth of urea thiosemicarbazone monohydrate crystal.

The reaction of urea with thiosemicarbazide in 1:1 mole ratio in aqueous solution does not result in the formation of urea thiosemicarbazone monohydrate crystal, as reported by Hanumantharao, Kalainathan and Bhagavannarayana [Spectrochim. Acta A91 (2012) 345-351]. A reinvestigation of the reported reaction reveals that the crystal obtained is the starting material namely thiosemicarbazide, which has been unambiguously confirmed with the aid of infrared and (1)H NMR spectra and single crystal X-ray structure determination.

Structural and spectral characterization of a new non-centrosymmetric organic thiosulfate.

Aqueous reaction of ammonium thiosulfate with ethylenediamine (en) results in the formation of the title compound (enH(2))[S(2)O(3)] (1) (enH(2)=ethylenediammonium) in good yields. Compound 1 was characterized by analytical data, IR, Raman and NMR spectra, X-ray powder pattern and its crystal structure was determined. The structure of 1 which crystallizes in the non-centrosymmetric orthorhombic space group P2(1)2(1)2(1), consists of two crystallographically independent (enH(2))(2+) dications and two unique thiosulfate anions, which are interlinked by three varieties of H-bonding interactions, namely N-H⋯O, N-H⋯S, and C-H⋯O.

Structural, vibrational and thermal studies of a new nonlinear optical material: L-asparagine-L-tartaric acid.

Crystals of a new nonlinear optical (NLO) material, viz., L-asparagine-L-tartaric acid (LALT) (1) were grown by slow evaporation of an aqueous solution containing equimolar concentrations of L-asparagine and L-tartaric acid. The structure of the title compound which crystallizes in the non-centrosymmetric monoclinic space group P2(1) consists of a molecule of L-asparagine and a molecule of free l-tartaric acid both of which are interlinked by three varieties of H-bonding interactions namely O-H···O, N-H···O and C-H···O.

New opportunities in acquisition and analysis of natural abundance complex solid-state 33S MAS NMR spectra: (CH3NH3)2WS4.

Population transfer from the satellite transitions to the central transition in solid-state (33)S MAS NMR, employing WURST inversion pulses, has led to detection of the most complex (33)S MAS NMR spectrum observed so far. The spectrum is that of (CH(3)NH(3))(2)WS(4) and consists of three sets of overlapping resonances for the three non-equivalent S atoms, in accord with its crystal structure. It has been fully analyzed in terms of three sets of (33)S quadrupole coupling and anisotropic/isotropic chemical shift parameters along with their corresponding set of three Euler angles describing the relative orientation of the tensors for these two interactions.

Site preferences of NH4+ in its solid solutions with Cs2WS4 and Rb2WS4 from multinuclear solid-state MAS NMR.

Solid solutions of NH(4)(+) in Cs(2)WS(4) and Rb(2)WS(4) are obtained by precipitation/crystallization from aqueous solutions. By means of (14)N, (87)Rb, and (133)Cs magic angle spinning NMR, compositions and extraordinarily accurate NH(4)(+)-site preferences are established for these materials.

Bis(methyl-ammonium) tetra-sulfido-tungstate(VI).

The title compound, (CH(6)N)(2)[WS(4)], was synthesized by the reaction of ammonium tetra-sulfidotungstate(VI) with aqueous methyl-amine. The title compound is isotypic with the corresponding Mo analogue (CH(6)N)(2)[MoS(4)], and its structure consists of a slightly distorted tetra-hedral [WS(4)](2-) dianion and two crystallographically independent methyl-ammonium (MeNH(3)) cations, all of which are located on crystallographic mirror planes. The tetra-sulfidotungstate anions are linked to the organic cations via hydrogen-bonding inter-actions.

Competing hydrogen-bond acceptors in ethylenediammonium oxotrithiotungstate(VI).

The structure of the title compound, (C(2)H(10)N(2))[WOS(3)], consists of ethylenediammonium dications and tetrahedral [WOS(3)](2-) dianions, which are linked with the aid of four varieties of hydrogen bond, namely N-H...

Bis(isopropyl-ammonium) tetra-sulfido-molybdate(VI).

The title compound, (C(3)H(10)N)(2)[MoS(4)], was synthesized by passing a rapid stream of H(2)S into an aqueous isopropyl-amine solution of molybdic acid. The title compound is isotypic with the corresponding W analogue (C(3)H(10)N)(2)[WS(4)]; its structure consists of a slightly distorted tetra-hedral [MoS(4)](2-) dianion and two crystallographically independent isopropyl-ammonium cations, with all atoms located in general positions. The cations and anion are linked by weak N-H⋯S and C-H⋯S inter-actions, the strength and number of which can explain the observed Mo-S bond distances.

Bis[(+/-)-trans-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and trans-cyclohexane-1,4-diammonium tetrathiomolybdate(VI).

The structures of the title complexes, (C6H15N2)2[MoS4], (I), and (C6H16N2)[MoS4], (II), can be described as consisting of discrete tetrahedral [MoS4]2- dianions that are linked to the organic ammonium cations via weak hydrogen-bonding interactions. The asymmetric unit of (I) consists of a single (+/-)-trans-2-aminocyclohexylammonium cation in a general position and an [MoS4]2- anion located on a twofold axis, while in (II), two crystallographically independent trans-cyclohexane-1,4-diammonium cations located on centres of inversion and one [MoS4]2- anion in a general position are found. The differing dispositions of the amine functionalities in the organic cations in the title complexes lead to different crystal packing arrangements in (I) and (II).

1,3-Propanediammonium tetrathiotungstate and N,N,N',N'-tetramethylethylenediammonium tetrathiotungstate.

The title complexes, (C(3)H(12)N(2))[WS(4)] and (C(6)H(18)N(2))[WS(4)], contain tetrahedral [WS(4)](2-) dianions, which accept a complex series of hydrogen bonds from the organic dications. The strength and number of these hydrogen bonds affect the W-S distances.