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Dey D.,Indian Institute of Science | Prakash V.,Shirdi Sai Engineering College | Chopra D.,Indian Institute of Science | Vasu,Vivekananda Degree College | Srinivas M.,Biocon
Journal of Chemical Crystallography

Two nitro substituted ethyl (2E)-2-cyano-3-phenylprop-2-enoate with molecular formula C12H10N2O4 have been synthesized and characterized by single-crystal X-ray diffraction. These two structures assemble via weak C-H···O=C/O (nitro group), C-H···N, and π-π intermolecular interactions which contribute towards the stability of the crystal packing. The lattice energies have been calculated using the PIXEL approach. Furthermore, high level DFT + Disp calculations for comparison with the pairing energies obtained from PIXEL method have been performed. An analysis of Hirshfeld surfaces and fingerprint plots facilitates a comparison of intermolecular interactions, which are the key elements in building different supramolecular architectures. Graphical Abstract: The manuscript highlights the evaluation of molecular conformation and crystal packing in two nitro derivatives of ethyl (2E)-2-cyano-3-phenylprop-2-enoate. 1. Molecular conformation in the solid state and compared with that in the gas phase. 2. Vibrational frequency calculations using TURBOMOLE. 3. Lattice Energy calculations using PIXEL. 4. Hirshfeld surface analysis to investigate intermolecular calculations.[Figure not available: see fulltext.] © 2014 Springer Science+Business Media New York. Source

Basavaraja C.,Inje University | Veeranagouda Y.,Changwon National University | Lee K.,Changwon National University | Vishnuvardhan T.K.,Shirdi Sai Engineering College | And 2 more authors.
Journal of Polymer Research

Polypyrrole-polymannuronate (PPy-PM) composite films were studied by preparing the composites via in situ deposition techniques. These studies on the chemical interactions, structural morphology, and thermal properties of the films support the formation of PPy-PM composites, and suggest that the ratio of pyrrole to PM is tailored to optimize the potential crosslinking inside the composite. The room temperature current-voltage characteristics and the frequency-dependent AC conductivity of the PPy-PM composites were studied within the frequency range of 102 to 106 Hz. Based on the aforementioned properties, the synthesis of PPy-PM composite films may suggest the future development of biomimetic materials that can be used to create new multicomponent and multifunctional bionanocomposite materials. © 2009 Springer Science+Business Media B.V. Source

Ravishankar S.,BMS College of Engineering | Kumar Y.V.,Shirdi Sai Engineering College
IET Conference Publications

In a passenger vehicle the main object is the seat that has to be not only ergonomically suitable to the commuter, also economically viable to the establishment. It is one of the crucial component to be considered when defining comfort in a moving vehicle. Different levels of comfort in diverse conditions are dictated by combination of static and dynamic factors. This research attempts to study the comfort zone of a bus passenger seat through subjective and objective evaluations at the human-seat interface. To study the subjective evaluation through direct response, an accelerometer to measure vibration on the seat is used while commuting between defined destinations. For the objective evaluation, analytical tests were conducted with dampening materials. The study is in uncontrolled condition that refers to the road trials or field tests carried out in a moving vehicle which produced random vibrations. The results showed that, the road conditions effects besides the postures and size of the passenger. A seat structure proposed with dampener properties; prove to be more effective in realising seat vibration comfort. The comfort values of this proposed seat are higher than the values for the current existing seat arrangement. A lower discomfort means journey with less fatigue. By improving the seat stricture using the said method for the vehicle seats, such as public transport buses, could provide better ride comfort for local purposes. Source

Prakash V.,Shirdi Sai Engineering College | Kapoor K.,Jammu University | Shet Prakash M.,Tumkur University | Gupta V.K.,Jammu University | Kant R.,Jammu University
Acta Crystallographica Section E: Structure Reports Online

The asymmetric unit of the title compound, C15H 17NO2, contains two independent molecules in which the dihedral angles between the pyrrole and benzene rings are 42.43 (9) and 45.70 (9)°. In both molecules, the but-oxy chains are disordered over two sets of sites, with occupancy ratios of 0.701 (7):0.299 (7) and 0.869 (4):0.131 (4). Each molecule forms a dimer with an inversion-related molecule, through a pair of N - H⋯O hydrogen bonds. Weak C - H⋯O inter-actions link these dimers in the crystal structure. © Prakash et al. 2012. Source

Sharma P.,Jammu University | Anthal S.,Jammu University | Prakash V.,Shirdi Sai Engineering College | Vasu,Vivekananda Degree College | And 2 more authors.
X-ray Structure Analysis Online

The title compound, 2-cyano-N-cyclohexylacetamide, C9H14N20, crystallizes in the monoclinic space group P21/n with the following unit-cell parameters: a = 12.057(2), b = 4.7671(8), c = 16.327(4)å, β = 96.50(2)°, Z = 4. The crystal structure was elucidated by direct methods, and refined to a final R-value of 0.0765 for 1137 observed reflections. The cyclohexane ring adopts the chair conformation. Intermolecular hydrogen bonds of the type N-H.O and C-H.N have been observed. © The Japan Society for Analytical Chemistry. Source

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