Diethyl 2-{[3-(2-meth­oxy­benz­yl)thio­phen-2-yl]methyl­idene}malonate

In the title compound, C20H22O5S, the dihedral angle between the mean planes through the thio­phene and benzene rings is 75.2 (1)°. The meth­oxy group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.019 (2) Å for the O atom. The malonate group assumes an extended conformation

8,9-Dimethoxybenzo[b]naphtho[2,3-d]thiophene

In the title compound, C18H14O2S, the system of four fused rings is almost planar (r.m.s. deviation = 0.022 Å). The C atoms of the methoxy groups deviate from the mean plane of the ring system by 0.373 (2) and −0.104 (2) Å. In the crystal, very weak aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.9286 (10) Å] may help to establish the packing

Studies on the Growth, Optical, Thermal and Physical Properties of an Efficient Second Order Nonlinear Optical Organic Crystal: 2-Amino-5-Chloropyridinium- Trifluoroacetate for Optoelectronic and Photonic Device Applications

763-772The novel organic single crystal 2-amino-5-chloropyridinium-trifluoroacetate (2A5CTFA) has been synthesized and grown successfully using methanol as solvent by continuous slow evaporation technique. The X-ray diffraction results reveals that the crystal 2-amino-5-chloropyridinium-trifluoroacetate crystallizes into monoclinic crystal system with the noncentrosymmetric space group Pc. The vibrational spectrum of the sample by FTIR and FT-RAMAN study confirms the characteristic functional groups of the 2A5CTFA crystal. The optical absorption spectrum shows 85% of transmittance in the entire UV-Vis-NIR region with cut-off wavelength at 345 nm. The crystal has a thermal stability of 137° C without any major weight loss in the TG curve. The photoluminescence spectrum of the crystal has a prominent violet emission peak centered at 388 nm. The dielectric behavior of the crystal measured with various frequencies at different temperatures reveals the normal behavior for optical materials. The second order NLO effect from the crystal is confirmed by the emission of green signal from the crystal upon tested with the aid of Kurtz powder analysis using Nd:YAG laser. The laser induced surface damage threshold value of the crystal is found to be 1.05 GW/cm2. Overall, the outlined properties of the grown crystal makes it suitable for opto-electronic and nonlinear optical device applications

Chloridobis(ethane-1,2-diamine-κ2N,N′)(3-methylpyridine-κN)cobalt(III) dichloride monohydrate

In the title hydrated salt, [CoCl(C6H7N)(C2H8N2)2]Cl2·H2O, the CoIII ion exhibits a distorted octahedral coordination envirnoment defined by four N atoms of two ethane-1,2-diamine ligands, another N atom of the pyridine ligand and a Cl− ligand. The pyridine N atom and the Cl− ligand are in cis positions relative to each other. The crystal packing is dominated by intermolecular N—H...Cl, O—H...Cl and O—H...H hydrogen-bonding interactions involving the amino groups of the complex cation, the lattice water molecule and the non-coordinating Cl− anions. Weak C—H...Cl interactions consolidate the three-dimensional hydrogen-bonded network structure

(10-Ethyl-10H-phenothiazine-3,7-diyl)bis(p-tolylmethanone)

The title compound, C30H25NO2S, crystallizes with two independent molecules (A and B) having similar conformations in the asymmetric unit. Both phenothiazine units have a butterfly structure; the dihedral angles between the planes of the benzene rings are 17.95 (13) and 12.65 (14)° for molecules A and B, respectively. In the crystal, the B molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers with an R22(10) ring motif. The A molecules are linked by C—H...π interactions. Layers of A molecules and layers of B molecules are linked by a second C—H...π interaction, forming A–B–B–A slabs, which stack back-to-back and lie parallel to the bc plane

Growth, structural, optical, thermal and dielectric properties of a novel semi-organic nonlinear optical crystal: Dichloro-diglycine zinc II

Dichloro-diglycine zinc II (DCDGZ II), a semi-organic nonlinear optical material has been synthesized and single crystals were grown from the aqueous solution up to dimensions 20×10×3 mm3. The title compound, DCDGZ II (C4H10Cl2N2O4Zn·H2O) crystallizes into monoclinic structure with the space group of C2/c. The unit-cell parameters were found to be a=14.4191(7), b=6.9180(2), c=12.9452(6) Å and Z=4. In the crystal structure, DCDGZ II layer is building up alternatingly with layers of water in which the zinc ions lie on a twofold axis. Theoretical calculations for polarizability, which are useful for device fabrication were made using Clausius–Mosotti equation and Penn analysis and the results were compared. Fourier transform infrared (FTIR) spectroscopic studies were performed for the identification of the different functional groups presented in the compound. The UV–vis–NIR absorption spectrum reveals that the lower UV cut-off wavelength is 240 nm. The optical band gap of the crystal was estimated as 2.2 eV. The surface morphology, thermal behaviour, dielectric properties have been studied using SEM, TG/DTA and LCR HITESTER analyzer. The nonlinear optical property of the crystal was also confirmed using Kurtz powder technique

1-Cyclohexyl-5-(2-hydroxybenzoyl)-3-nitropyridin-2(1H)-one

In the title compound, C18H18N2O5, the cyclohexane ring adopts a chair conformation, and its mean plane is almost normal to the central pyridin-2-one ring with a dihedral angle of 87.94 (8)°. The latter ring is inclined to the 2-hydroxybenzoyl ring by 50.92 (8)°. There is an intramolecular O—H...O hydrogen bond in this unit forming an S(6) ring motif. The NO2 group is disordered over two orientations of equal occupancy. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming chains propagating along [001]. Inversion-related chains are linked by C—H...π interactions, forming columns along the c-axis direction