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Kayalvizhi M.,Kunthavai Naachiar Government Arts College W Autonomous | Vasuki G.,Kunthavai Naachiar Government Arts College W Autonomous | Samant S.D.,Institute of Chemical Technology | Sanap K.K.,Institute of Chemical Technology
Acta Crystallographica Section E: Structure Reports Online | Year: 2013

In the racemic title compound, C22H21NO3, the nitrogen-containing ring of the pyranoquinoline moiety adopts a slightly distorted half-chair conformation and the oxygen-containing ring adopts a slightly distorted chair conformation. The benzene rings make a dihedral angle of 84.97 (8)°. In the crystal, weak C - H⋯O interactions link the molecules into chains extending along the a-axis direction.


Novina J.J.,Idhaya College for Women | Vasuki G.,Kunthavai Naachiar Government Arts College W Autonomous | Suresh M.,Jamal Mohamed College | Padusha M.S.A.,Jamal Mohamed College
Acta Crystallographica Section E: Structure Reports Online | Year: 2013

In the title compound, C14H13N3O2·2H2O, the hydrazone molecule adopts an E conformation with respect to the C=N bond. The dihedral angle between the benzene and pyridine rings is 8.55 (10)°. The methylidene-hydrazide [-C(=O)-N-N=C-] fragment is essentially planar, with a maximum deviation of 0.0375 (13) Å. The mean planes of the benzene and pyridine rings make dihedral angles of 2.71 (14) and 11.25 (13)°, respectively, with mean plane of the methylidene-hydrazide fragment. In the crystal, the benzohydrazide and water molecules are linked by N - H...O, O - H...O and O - H...N hydrogen bonds into a three-dimensional network.


Anuradha G.,Kunthavai Naachiar Government Arts College W Autonomous | Vasuki G.,Kunthavai Naachiar Government Arts College W Autonomous | Surendrareddy G.,Suven Life Sciences | Veerareddy A.,Suven Life Sciences | Dubey P.K.,University of Hyderabad
Crystallography Reports | Year: 2014

The title compound 5-bromo-1-(2-cyano-pyridin-4-yl)-1H-indazole-3- carboxylic acid diethy- lamide, C18H16BrN5O, is prepared from 5-bromoindazole-3-carboxylic acid methylester. N 1-arylation is carried out with 4-chloro-2-cyanopyridine and the resulting product is converted to diethylamide by reacting with thionyl chloride and diethylamine. The structure is identified from its FT-IR, 1H NMR, 13C NMR spectroscopy, elemental analysis data and unambiguously confirmed by single crystal X-ray diffraction stud- ies. There are two symmetry independent molecules in the asymmetric unit with no significant differences in bond lengths and angles. The title compound crystallizes in the triclinic system, space group P 1̄, with a = 11.2330(2); b = 11.6130(2); c = 15.4710(3) Å, α = 92.515(1)°; ß = 109.956(1);° γ = 107.199(1)°; V = 1788.45(6)Å3 and z = 4. An intramolecular C- H···N hydrogen bond forms an S(6) ring motif in one of theunique molecules. In the crystal, two molecules are linked about a center of inversion by C-H···O hydrogen bonded dimers generating an R2 2(16) ring motif. The crystal packing is stabilized by C-H···N, C-H···O hydrogen bonds and π··π stacking interactions. © Pleiades Publishing, Inc., 2014.


Novina J.J.,Idhaya College for Women | Vasuki G.,Kunthavai Naachiar Government Arts College W Autonomous | Suresh M.,Jamal Mohamed College Autonomous | Syed Ali Padusha M.,Jamal Mohamed College Autonomous
Acta Crystallographica Section E: Structure Reports Online | Year: 2014

In the title hydrated compound, C15H1 5N3O3-H2O, the nicotinohydrazide molecule adopts a trans conformation with respect to the C N double bond. The dihedral angle between the benzene and pyridine rings is 5.10 (14)-. In the crystal, the solvent water molecule acts as an acceptor, forming an N-H⋯O hydrogen bond supported by two C-H⋯O contacts. It also acts as a donor, forming bifurcated O-H⋯(O,O) and O-H⋯N hydrogen bonds that combine with the former contacts to form zigzag chains of molecules along the c-axis direction. An additional O-H⋯O donor contact completes a set of six hydrogen bonds to and from the water molecule and connects it to a third nicotinohydrazide molecule. This latter contact combines with weaker C-H⋯O hydrogen bonds supported by a C-H⋯-contact to stack molecules along b in a three-dimensional network.


Jothi L.,NKR Government Arts College for Women | Vasuki G.,Kunthavai Naachiar Government Arts College W Autonomous | Babu R.R.,Bharathidasan University | Ramamurthi K.,Bharathidasan University
Acta Crystallographica Section E: Structure Reports Online | Year: 2012

In the title compound, C 14H 13NO, the two rings show significant deviation from coplanarity, with a dihedral angle between the two planes of 49.40 (5)°. The hydroxy group is involved in an intermolecular O - H⋯N hydrogen bond, forming an extended one-dimensional zigzag chain along (001).


Jothi L.,NKR Government Arts College for Women | Vasuki G.,Kunthavai Naachiar Government Arts College W Autonomous | Babu R.R.,Bharathidasan University | Ramamurthi K.,Bharathidasan University
Acta Crystallographica Section E: Structure Reports Online | Year: 2012

In the title compound, C 13H 10BrNO, the benzene ring planes are inclined at an angle of 48.85 (17)°, resulting in a nonplanar mol-ecule. A characteristic of aromatic Schiff bases with N-aryl substituents is that the terminal phenyl rings are twisted relative to the HC=N plane. In this case, the HC=N unit makes dihedral angles of 11.1 (4) and 38.5 (3)° with the hy-droxy-benzene and bromo-benzene rings, respectively. In the crystal, the molecules are linked by O - H⋯N hydrogen bonds to form infinite (C8) chains along the b axis.


PubMed | Idhaya College for Women, Kunthavai Naachiar Government Arts College W Autonomous, University of Madras and Jamal Mohamed College Autonomous
Type: Journal Article | Journal: Acta crystallographica. Section E, Crystallographic communications | Year: 2015

In the title compound, C17H21ClN2O6, the di-hydro-pyrimidine ring adopts a flattened envelope conformation, with the sp (3)-hybridized C atom forming the flap. The dihedral angle between the least-squares planes of the benzene and di-hydro-pyrimidine rings is 88.09(6). An intra-molecular C-HO hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked via pairs of N-HO hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif, and the dimers are linked via further pairs of N-HO hydrogen bonds, forming R 2 (2)(14) rings and chains of mol-ecules along [111]. Pairs of inversion-related chains are linked via weak C-H inter-actions.


PubMed | Idhaya College for Women, Kunthavai Naachiar Government Arts College W Autonomous and Jamal Mohamed College Autonomous
Type: Journal Article | Journal: Acta crystallographica. Section E, Crystallographic communications | Year: 2015

In the title compound, C17H22N2O6, the di-hydro-pyrimidine ring adopts a flattened boat conformation. The dihedral angle between the benzene ring and the mean plane of the di-hydro-pyrimidine ring is 75.25(6). In the crystal, mol-ecules are linked via pairs of N-HO hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif which are linked through N-HO and weak C-HO hydrogen bonds. These, together with - ring inter-actions [centroid-centroid distance = 3.7965(10)], give an overall three-dimensional structure.


PubMed | Idhaya College for Women, Kunthavai Naachiar Government Arts College W Autonomous, University of Madras and Jamal Mohamed College Autonomous
Type: Journal Article | Journal: Acta crystallographica. Section E, Crystallographic communications | Year: 2015

In the title compound, C12H14N2O2S2, the di-hydro-pyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78(11). In the crystal, mol-ecules are linked into a supra-molecular chain along [100] via N-HO(carbon-yl) hydrogen bonds. Inversion-related chains are linked into double chains via N-HS(thione) hydrogen bonds. The three-dimensional architecture also features meth-yl-thienyl C-H inter-actions.


PubMed | Idhaya College for Women, Kunthavai Naachiar Government Arts College W Autonomous and Jamal Mohamed College
Type: Journal Article | Journal: Acta crystallographica. Section E, Crystallographic communications | Year: 2015

In the title hydrated salt, C13H10Cl2N3O(+)Cl(-)3H2O, the organic cation exhibits a dihedral angle of 8.26(14) between the mean planes of the pyridinium and benzene rings, and dihedral angles of 8.70(15) and 15.93(5) between the mean planes of the hydrazide group and the benzene and pyridinium rings, respectively. In the crystal, N-HO, N-HCl, C-HO, C-HCl, O-HO, O-HN and O-HCl hydrogen bonds link the complex cations, chloride anions and solvent water mol-ecules into a three-dimensional network.

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