21 research outputs found

    Crystal structure of 2,2′-bis[(2-chlorobenzyl)oxy]-1,1′-binaphthalene

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    In the title binaphthyl compound, C34H24Cl2O2, the dihedral angle between the two naphthyl ring systems (r.m.s. deviations = 0.016 and 0.035 Å) is 76.33 (8)°. The chlorophenyl rings make dihedral angles of 58.15 (12) and 76.21 (13)° with the naphthyl ring to which they are linked. The dihedral angle between the planes of the two chlorophenyl rings is 27.66 (16)°. In the crystal, C—H...O hydrogen bonds link molecules into chains propagating along [1-10]. The chains are linked by C—H...π interactions, forming a three-dimensional framework

    Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitropyrano[3,2-c]chromen-5(4H)-one chloroform monosolvate

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    In the title compound, C22H13BrN2O7·CHCl3, the pyran ring adopts a shallow sofa conformation with the C atom bearing the bromochromene system as the flap [deviation = 0.291 (3) Å]. The dihedral angle between the pyran fused-ring system (all atoms; r.m.s. deviation = 0.032 Å) and the bromochromene ring system (r.m.s. deviation = 0.027 Å) is 87.56 (9)°. An intramolecular N—H...O hydrogen bond closes an S(6) ring. The Cl atoms of the solvent molecule are disordered over two sets of sites in a 0.515 (6):0.485 (6) ratio. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds generate R22(12) loops. The packing also features C—H...O and very weak π–π [centroid–centroid separation = 3.960 (2) Å] interactions, which link the dimers into a three-dimensional network

    Crystal structure of 2-methylamino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitropyrano[3,2-c]chromen-5(4H)-one with an unknown solvate

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    In the title compound, C23H16N2O7, the mean planes of the two chromene units (r.m.s. deviations = 0.031 and 0.064 Å) are almost normal to one another with a dihedral angle of 85.59 (6)°. The central six-membered pyran ring has a distorted envelope conformation, with the methine C atom at the flap. There is an intramolecular N—H...O hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(12) ring motif. The dimers are linked by pairs of C—H...O hydrogen bonds, enclosing R22(6) ring motifs, forming zigzag chains along [001]. The chains are linked by a second pair of C—H...O hydrogen bonds, forming slabs parallel to (110). Within the slabs there are C—H...π interactions present. A region of disordered electron density was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18] following unsuccessful attempts to model it as plausible solvent molecule(s). The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s)

    Crystal structure of (2-hydroxy-5-methylphenyl)(3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone

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    In the title compound, C21H17N3O2, the 2-hydroxy-5-methylphenyl ring and the phenyl ring are inclined to the mean plane of the pyrazolopyridine moiety (r.m.s. deviation = 0.013 Å) by 52.89 (9) and 19.63 (8)°, respectively, and to each other by 42.83 (11)°. In the molecule, there are intramolecular O—H...O and C—H...N hydrogen bonds, both enclosing an S(6) ring motif. In the crystal, molecules stack along the c-axis direction, forming columns within which there are a number of π–π interactions [the inter-centroid distances vary from 3.5278 (10) to 3.8625 (10) Å]. The columns are linked by C—H...π interactions, forming slabs parallel to (100)

    Crystal structure of 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-methylamino-3-nitro-4H,5H-pyrano[3,2-c]chromen-5-one chloroform monosolvate

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    In the title compound, C23H14Cl4N2O7, the pyran ring has an envelope conformation with the methine C atom as the flap. The chromene rings are almost planar (r.m.s. deviations of 0.027 and 0.018 Å) and their mean planes are inclined to one another by 85.61 (10)°. The mean planes of the pyran ring and the chromene ring fused to it are inclined to one another by 7.41 (13)°. The molecular structure is stabilized by an intramolecular N—H...O hydrogen bond, generating an S(6) ring motif. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(12) ring motif. The dimers are linked by pairs of C—H...O hydrogen bonds, enclosing R22(18) ring motifs, forming chains along [010]. Within the chains there are C—H...π interactions. The chains are linked via slipped parallel π–π interactions, forming a three-dimensional structure [the shortest inter-centroid distance is 3.7229 (19) Å]

    Crystal structure of (5-chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone

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    In the title compound, C14H9ClN2O3, the fused pyridine and isoxazole rings are approximately planar, making a dihedral angle of 1.14 (16)°. The molecule is twisted with the benzene ring and the mean plane through the fused pyridine-isoxazole ring system being inclined to one another by 47.03 (13)°. There is an intramolecular O—H...O hydrogen bond forming an S(6) ring motif. In the crystal, molecules are linked by C—H...N hydrogen bonds, forming chains propagating along [001]. The chains are linked by slipped parallel π–π interactions, involving inversion-related benzene rings, forming slabs lying parallel to the bc plane {inter-centroid distance = 3.770 (2) Å]

    Thickness dependence on structural, dielectric and AC conduction studies of vacuum evaporated Sr doped BaTiO3 thin films

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    Barium titanate (BaTiO3) doped with Strontium (BST) nanoparticles prepared by using wet chemical method were thermally evaporated on to well cleaned glass substrates under the vacuum of 2 × 10−5 Torr, using 12A4 Hind Hivac coating unit. The thickness of the film was measured by quartz crystal monitor. From X-ray analysis, it has been found that BaTiO3 nanoparticles possess tetragonal structure and deposited films has a polycrystalline in nature, whereas the crystallinity of film increases with increase of temperature. Surface morphology of fabricated thin film observed that very homogeneous and uniform size. The transport mechanism in these films under a.c. fields was studied in the frequency range 12 Hz to 100 kHz, at different temperatures (303–483 K). The dependence of dielectric constant and loss factor for different thickness was investigated and results are discussed. The process of a.c. conduction has been explained on the basis of hopping conduction mechanism. The dielectric constant (ɛ′), temperature co-efficient of capacitance (TCC) and temperature co-efficient of permitivity (TCP) were estimated. The dependences of activation energy on thicknesses also studied and reported

    Crystal structures of 4-chlorophenyl N-(3,5-dinitrophenyl)carbamate and phenyl N-(3,5-dinitrophenyl)carbamate

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    The title compounds, C13H8ClN3O6, (I), and C13H9N3O6, (II), differ in the orientation of the two aromatic rings. In (I), they are essentially coplanar, making a dihedral angle of 8.2 (1)°, while in (II), they are inclined to one another by 76.2 (1)°. The two nitro groups are essentially coplanar with the attached benzene rings, as indicated by the dihedral angles of 1.4 (2) and 2.3 (2)° in (I), and 4.96 (18) and 5.4 (2)° in (II). The carbamate group is twisted slightly from the attached benzene ring, with a C—N—C—O torsion angle of −170.17 (15)° for (I) and 168.91 (13)° for (II). In the crystals of of both compounds, molecules are linked via N—H...O hydrogen bonds, forming chains propagating along [010]. In (I), C—H...O hydrogen bonds also link molecules within the chains. The crystal packing in (I) also features a very weak π–π interaction [centroid–centroid distance = 3.7519 (9) Å]

    Thickness dependence on structural, dielectric and AC conduction studies of vacuum evaporated Sr doped BaTiO3 thin films

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    Barium titanate (BaTiO3) doped with Strontium (BST) nanoparticles prepared by using wet chemical method were thermally evaporated on to well cleaned glass substrates under the vacuum of 2 × 10−5 Torr, using 12A4 Hind Hivac coating unit. The thickness of the film was measured by quartz crystal monitor. From X-ray analysis, it has been found that BaTiO3 nanoparticles possess tetragonal structure and deposited films has a polycrystalline in nature, whereas the crystallinity of film increases with increase of temperature. Surface morphology of the prepared thin film was found to be uniform. The transport mechanism in these films under a.c. fields was studied in the frequency range 12 Hz to 100 kHz, at different temperatures (303–483 K). The dependence of dielectric constant and loss factor for different thickness was investigated and results are discussed. The process of a.c. conduction has been explained on the basis of hopping conduction mechanism. The dielectric constant (ɛ′), temperature co-efficient of capacitance (TCC) and temperature co-efficient of permitivity (TCP) were estimated. The dependence of activation energy on thickness also studied and reported

    1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one

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    In the title compound, C27H19ClN2O, the quinoline system is planar, with a maximum deviation from the mean plane of 0.003 Å for the N atom. This ring makes dihedral angles of 56.64 (5) and 49.26 (2)° with phenanthrene and pyrrolidine rings, respectively. The pyrrolidine ring adopts a twisted conformation. In the crystal, molecules are linked via C—H...O hydrogen bonds, forming a two-dimensional network lying parallel to (010)
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