Journal Articles

Permanent URI for this collectionhttps://idr.nitk.ac.in/handle/123456789/19884

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Subject: search.filters.subject.Crystal structure

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    Crystal structure of semiorganic antimony thiourea bromide monohydrate crystals: a redetermination
    (2009) Upadhya, M.K.; Udayashankar, N.K.
    The growth of antimony thiourea bromide monohydrate (ATBM) single crystals by evaporation technique at room temperature is reported here. Antimony thiourea bromide monohydrate crystallizes in the orthorhombic space group Cmca with unit cell parameters a = 12.320(7) A, b = 11.668(7) A, c = 18.615(11), and z = 8. The structure has been solved by direct methods and refined to a final R value of 0.0239.
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    Synthesis, characterization and nonlinear optical properties of 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-methylquinolinium 4-substitutedbenzenesulfonate compounds
    (2010) Ruanwas, P.; Kobkeatthawin, T.; Chantrapromma, S.; Fun, H.-K.; Philip, R.; Smijesh, N.; Padaki, M.; Isloor, A.M.
    In the present investigation, 2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-methylquinolinium 4-substituted benzenesulfonate (X = CH3 (1), X = OCH3 (2), X = Cl (3), X = Br (4)) have been synthesized and characterized by 1H NMR, UV-Vis and FT-IR spectroscopy methods. In addition compound 3 was also characterized by single crystal X-ray diffraction (XRD) and found that it crystallized out in the monoclinic space group P21 with cell parameters, a = 9.8072(9) Å, b = 6.4848(5) Å, c = 19.4405(16) Å, ? = 90°, ? = 103.421(5)°, ? = 90°, z = 2 and V = 1202.61(17) Å3. The nonlinear optical absorption of the samples has been studied at 532 nm using 5 ns laser pulses, employing the open-aperture z-scan technique. It is found that some of the samples are potential candidates for optical limiting applications. © 2009 Elsevier B.V. All rights reserved.
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    Magnetic property and corrosion resistance of electrodeposited nanocrystalline iron-nickel alloys
    (Elsevier B.V., 2012) Pavithra, G.P.; Hegde, A.
    In the present investigation we have galvanostatically synthesized nanocrystalline Fe-Ni alloys on copper substrate. The effect of current density (c.d.) on composition, surface morphology and phase structure were studied for explaining the magnetic and electrochemical properties of the nanocrystalline alloy. The bath found to exhibit the preferential deposition of less noble Fe than Ni, and at no conditions of c.d., the deposition has changed from anomalous to normal type. Surface morphology and structural characteristics of the deposits were examined using scanning electron microscopy (SEM) and X-ray diffraction (XRD) analysis. As composition of the alloy varied, consequent to the current density a change of body centered cubic structure (bcc) to face centered cubic structure (fcc) was observed for nanocrystalline materials. Finally, the conditions responsible for peak magnetic property and corrosion resistance were optimized. Factors responsible for improved functional properties were explained in terms of surface morphology and crystalline grain size of the coatings. © 2012 Elsevier B.V.
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    Properties of ZnO:Bi thin films prepared by spray pyrolysis technique
    (Elsevier Ltd, 2013) Sadananda Kumar, N.; Bangera, K.V.; Anandan, C.; Shivakumar, G.K.
    Undoped and Bi doped zinc oxide thin films were deposited on glass substrate at 450 °C using spray pyrolysis technique. The X-ray diffraction studies shows that Bi doped ZnO films are polycrystalline hexagonal structure with a preferred orientation along (101) direction. Crystallites size of the films decreases with increasing doping concentration. Scanning electron microscope image shows change in the surface morphology. The composition of Zn, O and Bi elements in the undoped and Bi doped ZnO films were investigated by X-ray photoelectron spectroscopy. Bi doped ZnO thin films show a transparency nearly 75% in the visible region. The optical band gap of ZnO thin films reduces from 3.25 eV to 3.12 eV with an increase in Bi concentration from 0 to 5at.% respectively. Electrical conductivity of ZnO thin films increased from 0.156 to 6.02S/cm with increasing Bi dopant concentration from 0% to 5% respectively. © 2013 Elsevier B.V. All rights reserved.
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    Nickel(II) complex of p-[N,N-bis(2-chloroethyl)amino]benzaldehyde-4-methyl thiosemicarbazone: Synthesis, structural characterization and biological application
    (Elsevier Ltd, 2013) Sankaraperumal, A.; Karthikeyan, J.; Nityananda Shetty, A.N.; Lakshmisundaram, R.
    New complex of Ni(II) with p-[N,N-bis(2-chloroethyl)amino]benzaldehyde-4- methyl thiosemicarbazone (CEAB-4-MTSC) have been synthesized and characterized by elemental analysis, IR, electronic, 1H NMR spectroscopy. The crystal structure of the free ligand and complex has been determined by single crystal X-ray diffraction technique. In the complex, thiosemicarbazone ligand is coordinated to nickel through (1:2 complex) SNNS mode. The complex crystallizes in the triclinic with space group P1?. The complex has been tested for their antibacterial activity against various pathogenic bacteria. From this study, it was found out that the activity of complex reaches the effectiveness of the conventional bacteriocide Streptomycin compared to simple ligand. © 2012 Elsevier Ltd. All rights reserved.
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    Syntheses, crystal structures and antimicrobial studies of two new semicarbazone derivatives
    (2014) Chia, T.S.; Ching Kheng, C.K.; Ooi, C.W.; Garudachari, B.; Isloor, N.A.; Isloor, A.M.; Fun, H.-K.
    Two new derivatives of semicarbazone, (E)-2-(hexan-2-ylidene) hydrazinecarboxamide and (E)-2-(heptan-2-ylidene)hydrazinecarboxamide were synthesized and characterized by IR and 1H NMR. Their crystal structures were characterized by X-ray diffraction method. Compound (I) crystallizes in triclinic P 1 ?, a = 6.7679(7) Å, b = 7.1912(8) Å, c = 9.9969(11) Å, ? = 108.824(2), ? = 99.398(3), ? = 92.680(2), V = 451.75(8) Å3, Z = 2, R 1 = 0.043 and wR 2 = 0.140. Compound (II) crystallizes in triclinic P 1 ?, a = 6.7192(6) Å, b = 7.2094(6) Å, c = 11.2842(11) Å, ? = 103.303(2), ? = 106.198(2), ? = 91.219(1), V = 508.70(8) Å3, Z = 2, R 1 = 0.044 and wR 2 = 0.133. Their molecules adopt a L-shape conformation with C atom in C=N double bond acting as the junction point. The C=O double bond indicate the existence of semicarbazone group in keto-like form for both compounds in their solid state. In the crystal, the carbonyl O atom for both derivatives acts as a common acceptor in the intermolecular bifurcated N-H·O hydrogen bonding which linked the molecules into one-dimensional supramolecular ribbons. Antimicrobial studies by serial dilution method showed both compounds exhibit antibacterial property. Graphical Abstract: Two new semicarbazone derivatives are characterized by IR, 1H NMR and single crystal X-ray diffraction methods and their antibacterial activity was further investigated by screening against four different bacterial strains.[Figure not available: see fulltext.] © 2013 Springer Science+Business Media New York.
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    Synthesis, Characterization, Thermal and Antimicrobial studies of N-substituted Sulfanilamide derivatives
    (2014) Lahtinen, M.; Kudva, J.; Hegde, P.; Bhat, K.; Kolehmainen, E.; Nonappa, N.; Venkatesh; Naral, D.
    Four sulfanilamide derivatives N-[4-(phenylsulfamoyl)phenyl]acetamide (1), 4-amino-N-phenylbenzenesulfonamide (2), N-[4-(phenylsulfamoyl)phenyl]benzamide (3) and N-{4-[(3-chlorophenyl)sulfamoyl]phenylbenzamide (4) were synthesized and characterized by Infra-Red (IR), Nuclear Magnetic Resonance (NMR) and UV-visible (UV-Vis) spectra. Also Liquid Chromatographic (LCMS) and High Resolution Mass Spectrometric (HRMS) methods were used. Crystal structures of 1-4 were determined by single crystal X-ray diffraction (XRD) and their conformational and hydrogen bond (HB) network properties were examined with survey of the literature data. Compounds 1 and 2 crystallize in the same orthorhombic Pbca symmetry with equivalent molecular conformation (tilted V-shape) but showed distinct packing and hydrogen bonding models. Compounds 3 and 4 crystallize in monoclinic and triclinic crystal systems, albeit exhibiting identical molecular conformation (L-shaped). Same donor acceptor pairs both on 3 and 4 result to different kind of HB network. Thermogravimetric (TG) and differential scanning calorimetric (DSC) methods were used to evaluate thermal properties of the substances. All sulfanilamide derivatives have melting points between195-227 C, initiation of thermal decomposition between 259-271 C and enthalpies of fusion ?HfusT = 38.96, 36.60, 46.23 and 44.81 kJ mol -1 were determined for 1-4, respectively. The derivatives were screened for their antibacterial and antifungal activities against various bacterial and fungal strains. It is observed that there is no significant antibacterial activity with the introduction of the benzene ring to CO-NH group or SO2-NH moiety, and none of the compounds exhibited antifungal activity. © 2013 Elsevier B.V. All rights reserved.
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    New luminescent 2-methoxy-6-(4-methoxy-phenyl)-4-p-tolyl-nicotinonitrile: Synthesis, crystal structure, DFT and photophysical studies
    (2014) Ahipa, T.N.; Kamath, P.R.; Kumar, V.; Vasudeva Adhikari, A.V.
    In the current communication, we report the synthesis, spectroscopic, crystal structure, DFT and photophysical studies of a new nicotinonitrile derivative, viz. 2-methoxy-6-(4-methoxy-phenyl)-4-p-tolyl-nicotinonitrile (2) as a potential blue light emitting material. The compound 2 was synthesized in good yield via a simple route. The acquired spectral and elemental analysis data were in consistent with the chemical structure of 2. The single crystal study further confirms its three dimensional structure, molecular shape, and nature of short contacts. Its DFT calculations reveal that compound 2 possesses a non-planar structure and its theoretical IR spectral data are found to be in accordance with experimental values. In addition, its UV-visible and fluorescence spectral measurements prove that the compound exhibits good absorption and fluorescence properties. Also, it shows positive solvatochromic effect when the solvent polarity was varied from non-polar to polar. © 2014 Elsevier B.V. All rights reserved.