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113 results on '"Narasimhamurthy, T"'

4. Tris(acetylacetonato-kappa O-2,O')(1,10-phenanthroline-kappa N-2,N')erbium(III)

Author

Neelgund, Gururaj M, Shivashankar, SA, Narasimhamurthy, T, and Rathore, RS

Subjects
Materials Engineering (formerly Metallurgy)
Abstract

The title compound, [Er(C5H7O2)(3)(C12H8N2)], is a mixed-ligand metal-organic precursor for chemical vapour deposition, with the Er atom being eight-coordinate. The coordination polyhedron, described as a distorted square antiprism, is formed by three bidentate (chelating) acetylacetonate residues and a phenanthroline ligand in the apical positions. Molecular assembly via C-H (...) O hydrogen bonds generates a sheet structure in the ac plane. Weak co-operative C - H .... pi interactions form molecular dimers and contribute to the stability of the intersheet packing. The supramolecular assembly contains voids which form hydrophobic porous channels, surrounded by a cluster of dimers.

Published
2007

5. Proton-bifurcated $C-H{...}(O,O)$ hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride

Author

Rathore, RS, Narasimhamurthy, T, Vijay, T, Yathirajan, HS, and Nagaraja, P

Subjects
Solid State & Structural Chemistry Unit
Abstract

In the crystal structure of the title salt, $C_{7}H_{7}C_{l2}N_{2}O_{2}^+{\cdot}Cl^-$, the chloride anions participate in extensive hydrogen bonding with the aminium cations and indirectly link the molecules through multiple $N^+\c-H{...}Cl^-$ salt bridges. There are two independent molecules in the asymmetric unit, related by a pseudo-inversion center. The direct intermolecular, coupling is established by $C-H{...}O,\hspace{5mm}C-H{...}Cl\hspace{5mm}and\hspace{5mm}C-Cl{...}Cl^-$ interactions. A rare three-center (donor bifurcated) $C-H{...}(O,O)$ hydrogen bond is observed between the methylene and nitro groups, with a side-on intramolecular component of closed-ring type and a head-on intermolecular component.

Published
2006

6. Thionordazepam: strong intermolecular N-H...N hydrogen-bonded chains

Author

Narasegowda, RS, Vijay, T, Yathirajan, HS, Nagaraja, P, Narasimhamurthy, T, and Rathore, RS

Subjects
Solid State & Structural Chemistry Unit, Biochemistry
Abstract

In the title compound, 7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione, $C_{15}H_{11}ClN_{2}S$, the central seven-membered diazepinethione ring adopts a boat conformation. The dihedral angle between the planes of the aromatic rings is 63.7 (1)°. The crystal packing is determined by strong N-HN hydrogen bonds, generating a one-dimensional chain along [001].

Published
2005

7. $N-H^+{\cdot\cdot\cdot}Cl^-\hspace{5 mm}and\hspace {5 mm}C-H{\cdot\cdot\cdot}O$ interactions in 6-fluoro-3-(4-piperidinio)benz[d]isoxazole chloride

Author

Yathirajan, HS, Narasimhamurthy, T, Nagaraj, B, Nagaraja, P, Narasegowda, RS, and Rathore, Ravindranath S

Subjects
BioInformatics Centre
Abstract

Supramolecular assembly of the title compound, $C_{12}H_{14}ClFN_{2}O$, is primarily governed by $N-H^+{\cdot\cdot\cdot}Cl^-\hspace {5 mm}and\hspace {5 mm}C-H{\cdot\cdot\cdot}O$ interactions, and a putative $C-H{\cdot\cdot\cdot}F$ interaction. The piperidine ring assumes a chair conformation, with the substituted benzisoxazole ring in an equatorial position.

Published
2005

8. 2,2'-Dipropylmalonic acid: intermolecular association via strong $O-H{...}O$ hydrogen bonds

Author

Mondal, S, Narasegowda, RS, Nagaraj, B, Yathirajan, HS, Narasimhamurthy, T, and Rathore, Ravindranath S

Subjects
BioInformatics Centre, Physics
Abstract

The molecular structure of the title compound, $C_{9}H_{16}O_{4}$, is described by a trans-planar configuration of the propyl chains. The molecule has an approximate pseudo-twofold rotation axis in the crystal structure. The molecules are interconnected by strong $O-H{...}O$ hydrogen bonds and form an $R\frac{2}{2}(8)$ ring structure.

Published
2005

9. Structural Features in the Model of a Thermostable and Stress-resistant Protein, SP1 from aspen

Author

Rathore, Ravindranath S and Narasimhamurthy, T

Subjects
Physics
Abstract

A three dimensional theoretical model of SP1 (stable protein 1), which is resistant to high temperature and biotic-stresses, is presented here. The model was generated by the application of homology modeling technique. The conformational rigidity imparted to the fold by the presence of hydrogen-bonded, ${C_5}, {C_7}, {C_{10}}\hspace {5mm} and\hspace{5mm} {C_13}$ structures in the loop regions, multiple aromatic-aromatic interactions at the protein interior and on the surface, in addition to salt-links and hydrogen-bonds are primarily the major factors, responsible for the increased stability of protein. The putative protein family is characterized by motifs, E-x(0,1)-L-x-[AEGQS] and V-x(2,3)-L-x-[ADEGST] and the active site in the tertiary structure is formed by conserved aromatic and isoleucine clusters.

Published
2004

10. Herring-bone $\pi-\pi$ interactions in trans-2,6-diphenyl-2,3,5,6-tetrahydrothiapyran-4-one

Author

Narasimhamurthy, T, Benny, JCN, Pandiarajan, K, and Rathore, Ravindranath S

Subjects
BioInformatics Centre, Physics
Abstract

The structure of the title compound, $C_{17}H_{16}OS$, is primarily stabilized by T-shaped and parallel-displaced aromatic clusters. The distances between the centroids of the aromatic pairs are in the range 4.34-5.30 A. In the crystal packing, the molecules dimerize by means of $\pi-\pi$ interactions of both face-to-face and edge-to-face types, and the aromatic rings associate in a cyclic edge-to-face tetrameric arrangement of the herring-bone type. These herring-bone interactions appear to insulate hydrogen-bond interactions in the crystal structure.

Published
2003

11. 2,6-Diphenylthiapyran-4-one

Author

Narasimhamurthy, T, Krishnakumar, RV, Benny, JCN, Pandiarajan, K, and Viswamitra, MA

Subjects
Physics
Abstract

In the title compound, 2,6-diphenylthiacyclohexan-4-one, $C_{17}H_{16}OS$, mirror site symmetry is retained by the molecule in the solid state in the absence of $C-H{...}X$ hydrogen bonds. The crystal structure is stabilized by van der Waals interactions, the shortest $S{...}O$ and $C{...} O$ contacts being 3.567 (2) and 3.512 (3) A, respectively.

Published
2000

33. 4-Methoxy-3-methylbenzophenone

Author

Rathore, R. S., primary, Narasimhamurthy, T., additional, Vijay, T., additional, Yathirajan, H. S., additional, Anilkumar, H. G., additional, and Basavaraju, Y. B., additional

Published
2006
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48. 2,6-Diphenylthiapyran-4-one

Author

Narasimhamurthy, T., primary, Krishnakumar, R. V., additional, Benny, J. C. N., additional, Pandiarajan, K., additional, and Viswamitra, M. A., additional

Published
2000
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49. C—halogen…πdimer and C—H…π interactions in 192-bromo-4,5-dimethoxybenzyl)-2-butyl-4-chloro-1H0imidazole-5-carbaldehyde and 2-butyl-4-chloro-1-(6-methyl-1,3-benzoodioxol-5-ylmethyl)-1H-imidazole-5-carbadehyde.

Author

Nagaraj, B., Narasimhamurthy, T., Yathirajan, H. S., Nagaraja, P., Narasegowda, R. S., and Rathore, Ravindranath S.

Subjects
*MOLECULAR structure, *HALOGEN compounds, *MOLECULAR crystals, *DIMERS, *HYDROGEN bonding, *MOLECULAR association, *PHYSICAL & theoretical chemistry
Abstract

The structures of the title compounds, C17H20BrClN2O3, (I), and C17H19ClN2O3, (II), are stabilized by intramolecular C—H…O and C—H…π interactions. The stability of the molecular packing in (I) and (II) arises from a diverse set of weak intermolecular C—H…O, C—H…π and C—halogen…π interactions. In the crystal structure of (I), molecules aggregate in dimeric subunits via C—Br…π interactions. The dimers are interlinked by C—H…O hydrogen bonds. The halogens cluster together and form a channel along the b axis. In (II), the packing is mainly governed by intermolecular C—H…O and C—H…π interactions. [ABSTRACT FROM AUTHOR]

Published
2005
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50. Proton-bifurcated C--H⋅⋅⋅(O,O) hydrogen bonds in 2,3-dichloro-6-nitrobenzylaminium chloride.

Author

Rathore, R. S., Narasimhamurthy, T., Vijay, T., Yathirajan, H. S., and Nagaraja, P.

Subjects
*CHLORIDES, *MOLECULAR structure, *HYDROGEN bonding, *ANIONS, *CATIONS, *NITRO compounds, *ASYMMETRY (Chemistry), *INTERMOLECULAR forces
Abstract

In the crystal structure of the title salt, C7H7Cl2N2O2+·Cl−, the chloride anions participate in extensive hydrogen bonding with the aminium cations and indirectly link the mol­ecules through multiple N+—H⋯Cl− salt bridges. There are two independent mol­ecules in the asymmetric unit, related by a pseudo-inversion center. The direct inter­molecular coupling is established by C—H⋯O, C—H⋯Cl and C—Cl⋯Cl− inter­actions. A rare three-center (donor bifurcated) C—H⋯(O,O) hydrogen bond is observed between the methyl­ene and nitro groups, with a side-on intra­molecular component of closed-ring type and a head-on inter­molecular component. [ABSTRACT FROM AUTHOR]

Published
2006
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