N. K. Lokanath

Crystal structure of 4-n-nonylbenzoic acid

The title compound, 4-n-nonylbenzoic acid, CH3(CH2)8C6H4COOH (NBA), has been characterized thus: triclinic, P1, a = 13.514(4)Å, b = 23.4672(5)Å, c = 7.658(3)Å, alpha = 90.914(3)°, beta = 100.403(3)°, gamma = 77.781(2)°, V = 2334(2)Å3, Z = 2, and F.W = 745.06, Dm = 1.161 g cm-3, Dc = 1.061 g cm-3, F000 = 816.00, lambda = 0.71069Å, mu = 0.6 cm-1, goodness-of-fit is 1.029, final R1 = 0.063 and wR2 = 0.16.

ZrO2-supported Cu(II)–β-cyclodextrin complex: construction of 2,4,5-trisubstituted-1,2,3-triazoles via azide–chalcone oxidative cycloaddition and post-triazole alkylation

An efficient one-pot three-component stepwise approach for the synthesis of N-2-substituted-1,2,3-triazoles from chalcones, sodium azide and esters has been developed using a recoverable and reusable ZrO2 nanoparticle-supported Cu(II)–β-cyclodextrin complex as a catalyst. N-2 alkylation of triazoles using different aryl–alkyl esters without any additives has been achieved for the first time. The one-pot operation, atom-economical nature, regioselectivity and good yields are the noteworthy features of this protocol. The reusability of the prepared nanocatalyst was successfully examined four times without any appreciable loss in catalytic activity.

Synthesis and structural characterization of Na2MnP2O7 crystal

Na2MnP2O7 crystals were synthesized by hydrothermal technique. Crystals obtained are in the form of single crystals of rhombohedral morphology with lattice parameters as follows: triclinic, P 1, π = 0-71069 Å, a = 6.657(3) Å, b = 6.714(6) Å, c = 6.518(4) Å, α = 112.31(6)°, β = 92.14(4)°, γ = 83.89(5)°, V = 268.0(3) Å3, Z = 2, ρcal = 2, 3.121 g/cm3, μ = 3.121 mm-1, F000 = 244, goodness-of-fit on F = 1.348, final R indices with [I > 3σ(I)]R = 0051 and ωR = 0.065.

3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole

In the title compound, C16H16N2, the dihydropyrazole ring adopts a shallow envelope conformation, with the C atom bearing the phenyl group displaced by 0.298 (2) Å from the other atoms (r.m.s. deviation = 0.015 Å). The dihedral angles between the four near coplanar atoms of the central ring and the N- and C-bonded phenyl groups are 13.49 (13) and 82.22 (16)°, respectively.

4-(Thio-phen-2-yl)-2-[4-(tri-fluoro-meth-yl)phen-yl]-2,3-di-hydro-1,5-benzo-thia-zepine.

In the title compound, C20H14F3NS2, the seven-membered thiazepine ring adopts a slightly distorted twist–boat conformation. The mean plane of the five-membered thiophene ring fused to the thiazepine ring is twisted by 32.3 (3) and 55.6 (4)° from the benzene and phenyl rings, respectively. In the crystal, inversion dimers linked by pairs of weak C—H⋯N interactions are observed.

Crystal Structure of 4-Octlyloxybenzoic Acid

Abstract 4-octyloxybenzoic acid, C15H22O3, crystallises in the triclinic space group P 1 with lattice parameters a = 12.207(3)Å, b = 13.424(3)Å, c = 4.8666(16)Å, α = 91.26(2)°, β = 91.46(3)°, γ = 116.756(14)°, V = 711.4(3)Å3, Z = 2, D (cal) = 1.169 Mg/m3, μ = 0.08 mm-1, F 000 = 272, GooF = 0.940, R1 = 0.0563 and wR2 = 0.1512.

Crystal Structure of Octyl Benzoic Acid

Abstract Octyl benzoic acid, CH3(CH2)7C6H4COOH(OBA), Mr = 234.34, triclinic, Pl, a = 13.6372 A b = 22.0910A, c = 7.6816 A V = 2156.69 A3, Z = 1, D m = 1.079 gm cm−3, D c = 1.083 gm cm−3, μ = 0.07 cm−1, F000 = 768, (MoKα) = 0.71069A, final R1 and wR2 are 0.0456 and 0.1265 respectively.

Synthesis and Crystal Structure of 1,3-Dimethyl Benzotriazolium Trifluoromethane Sulfonate

Abstract The isolation of stable carbenes of the Arduengo (1a) and Wanzlick (2a) type has prompted us to look for stable nitrenium ions of the related structural type 1,3-dimethyl benzotriazolium trifluoromethane sulfonate (3+ ). The title compound was isolated and structure was characterized by X-ray methods.

(2,4-Dichlorophenoxy)acetohydrazide

The title compound, C 8 H 8 Cl 2 N 2 O 2 , is an intermediate compound in the synthesis of one of the important 1,2,4-triazoles that possess diverse pharmacological activities.

Crystal Structure of 4-Isothiocyanato Phenyl 4-Pentylbicyclo[2,2,2] Octane-1-Carboxylate

Abstract 4-isothiocyanatophenyl 4-pentylbicyclo[2,2,2]octane-1-carboxylate,C21H27O2NS is a nematogen containing an unusual eight membered ring in the rigid core. The compound crystallizes into the triclinic system P1 with a = 9.8969(1) A, b = 42.911(8) A, c = 9.877(2) A, a = 92.86(2)°, β = 103.79(1)°, -Γ = 94.43(1)°, V = 4051.3(1) A3, Z = 2. The data were collected using MoK a radiation (λ = 0.71073 A) at T = 300K. The structure was solved by direct methods using SHELXS-86 and refined to a final R and wR of 0.0688 and 0.1814 respectively using 2452 observed reflections with I > 2[sgrave](I). The structure shows a layered packing down α-axis and imbrication along the other two axes. The crystal structure throws light on the liquid crystalline behaviour of the compound.