Hydrogen-bonded sheets in 2-(2-aminophenyl)-1H-benzimidazol-3-ium dihydrogen phosphate (2008)
Shylaja, S, Mahendra, KN, Varma, KBR, Narasimhamurthy, T, Rathore, RS
The title salt, $C_{13}H_{12}N_3^+$ \cdot $H_2PO_4^-$, contains a nonplanar 2-(2-aminophenyl)-1H-benzimidazol-3-ium cation and two different dihydrogen phosphate anions, both situated on twofold...
Hydrogen-bonded sheets in 2-(2-aminophenyl)-1H-benzimidazol-3-ium dihydrogen phosphate (2008)
Shylaja, S, Mahendra, KN, Varma, KBR, Narasimhamurthy, T, Rathore, RS
The title salt, $C_{13}H_{12}N_3^+$ \cdot $H_2PO_4^-$, contains a nonplanar 2-(2-aminophenyl)-1H-benzimidazol-3-ium cation and two different dihydrogen phosphate anions, both situated on twofold...
Tris(acetylacetonato-$k^2O,O')$(1,10-phenanthroline-$k^2N,N')$erbium(III) (2007)
Neelgund, Gururaj M, Shivashankar, SA, Narasimhamurthy, T, Rathore, RS
The title compound, $[Er(C_5H_7O_2)_3(C_{12}H_8N_2)]$, is a mixedligand metal-organic precursor for chemical vapour deposition, with the Er atom being eight-coordinate. The coordination polyhedron,...
2-(Cyanomethoxy)benzonitrile (2007)
Narasimhamurthy, T, Shashidhar, *, Shivashankar, SA, Reddy, Vittala P, Rathore, RS
In the title compound, $C_9H_6N_2O$, two independent and almost identical molecules, pseudosymmetrically related by twofold rotation, form the asymmetric unit. The molecules adopt an overall L-shaped...
3-Acetyl-4-hydroxyquinolin-2(1H)-one: resonance-assisted $O—H...O$ hydrogen bonding (2007)
Sarveswari, S, Raja, TK, Vijayaraghavan, R, Narasimhamurthy, T, Rathore, RS
The molecule of the title compound, $C_{11}H_9NO_3$, a pharmacologically important quinoline derivative, adopts an overall planar shape. The structure is stabilized by an intramolecular $O—H...O=C$...
Rathore, RS, Narasimhamurthy, T, Vijay, T, Yathirajan, HS, Nagaraja, P
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...
1-Isopropyl-6,6,8a-trimethyl-1,3a,5,6,7,8a-hexahydro-3H-1-benzofuro[2,3-b]pyrrole-2,4-dione (2006)
Narasegowda, RN, Yathirajan, HS, Lynch, DE, Narasimhamurthy, T, Rathore, RS
The crystal structure of the title benzofuran derivative, $C_1_6H_2_3NO_3$, has been elucidated. The tricyclic core, i.e. the tetrahydrobenzo-dihydrofuro-pyrrolidine ring system, is non-planar owing...
4-Methoxy-3-methylbenzophenone (2006)
Rathore, RS, Narasimhamurthy, T, Vijay, T, Yathirajan, HS, Anilkumar, HG, Basavaraju, YB
The molecule of the title compound, $C_1_5H_1_4O_2$, is non-planar and the planes of the benzene rings intersect at an angle of $459.8 (1)^{\circ}$. The crystal structure exhibits a significant short...
Ethyl 2-acetyl-3-anilinobutanoate (2006)
Priya, S, Sinha, S, Vijayakumar, V, Narasimhamurthy, T, Vijay, T, Rathore, RS
The title compound, $C_{14}H_{19}NO_3$, adopts an extended conformation and forms hydrogen-bonded dimers through intermolecular $N-H^{...}O$ interactions.
Anilkumar, HG, Yathirajan, HS, Narasimhamurthy, T, Vijay, T, Rathore, RS
The molecular structure of the title acid, $C_{15}H_{14}O_{2}$, exhibits a trans-planar arrangement of the aromatic rings. The carboxyl group is inclined at an angle of $6.4 (1) ^o$ with respect to...
Thionordazepam: strong intermolecular N-H...N hydrogen-bonded chains (2005)
Narasegowda, RS, Vijay, T, Yathirajan, HS, Nagaraja, P, Narasimhamurthy, T, Rathore, RS
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...
4-tert-butyl-\gamma-chlorobutyrophenone (2005)
Anilkumar, HG, Vijay, T, Yathirajan, HS, Narasimhamurthy, T, Rathore, RS
The title compound, $C_{14}H_{19}C_{lO}$, possesses $C_{s}$ symmetry with all but two C atoms of the tert-butyl group lying in the mirror plane. In the crystal structure, the molecules stack along...
5-Chlorocarbonyl-10,11-dihydro-5h-dibenz[b,f]azepine (2005)
Vijay, T, Anilkumar, HG, Yathirajan, HS, Narasimhamurthy, T, Rathore, RS
In the title compound, $C_{15}H_{12}ClNO$, the central seven-membered azepine ring adopts a bent conformation, intermediate between the boat and chair forms. The overall structure of the molecule is...
Nagaraj, B, Narasimhamurthy, T, Yathirajan, HS, Nagaraja, P, Narasegowda, RS, Rathore, Ravindranath S
The structures of the title compounds, $C_{17}H_{20}BrClN_{2}O_{3}$, (I),and $C_{17}H_{19}ClN_{2}O_{3}$, (II), are stabilized by intramolecular C-H...O and C-H...\pi interactions. The stability of...
2,2'-Diaminodibenzyl: a rare case of crystallographically non-compliant molecular symmetry (2005)
Narasegowda, RS, Sony, Malathy SM, Mondal, S, Nagaraj, B, Yathirajan, HS, Narasimhamurthy, T, ...
The title compound, $C_{14}H_{16}N_2$, adopts a trans-planar conformation. However, the molecule, which possesses $C_i$ point group symmetry, crystallizes in the non-centrosymmetric space group...
Yathirajan, HS, Narasimhamurthy, T, Nagaraj, B, Nagaraja, P, Narasegowda, RS, Rathore, Ravindranath S
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...
2,2'-Dipropylmalonic acid: intermolecular association via strong $O-H{...}O$ hydrogen bonds (2005)
Mondal, S, Narasegowda, RS, Nagaraj, B, Yathirajan, HS, Narasimhamurthy, T, Rathore, Ravindranath S
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...
Rathore, Ravindranath S, Narasimhamurthy, T
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...
Two biologically active thiophene-3-carboxamide derivatives (2003)
Vasu, *, Nirmala, KA, Choudhury, AR, Mohan, S, Saravanan, J, Narasimhamurthy, T
$The\hspace{5mm}two\hspace{5mm}title\hspace{5mm}compound,$ $2-(\lbrace (1Z)-[4-(dimethylamino)-phenyl]methylene\rbrace...
Herring-bone $\pi-\pi$ interactions in trans-2,6-diphenyl-2,3,5,6-tetrahydrothiapyran-4-one (2003)
Narasimhamurthy, T, Benny, JCN, Pandiarajan, K, Rathore, Ravindranath S
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...
4,8,9,10-Tetraphenyl-1,3-diazaadamantan-6-one acetone hemisolvate (2002)
Nandhini, Subha M, Krishnakumar, RV, Narasimhamurthy, T, Vijayakumar, V, Sundarvadivelu, M, Natarajan, S
In the title compound, $C_{32}H_{28}N_{2}O·0.5C_3H_6O$, the two axial and two equatorial phenyl substituents are essentially planar. There are no hydrogen-bonded...
4,8,9,10-Tetraphenyl-1,3-diazaadamantan-6-one (2002)
Nandhini, Subha M, Krishnakumar, RV, Narasimhamurthy, T, Vijayakumar, V, Sundarvadivelu, M, Natarajan, S
In the molecule of the title compound, $C_{32}H_{28}N_{2}O$, two of the four phenyl substituents occupy axial and the other two occupy equatorial positions relative to their respective $C_{5}N$ rings...
2,6-Diphenylthiapyran-4-one (2000)
Narasimhamurthy, T, Krishnakumar, RV, Benny, JCN, Pandiarajan, K, Viswamitra, MA
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...