H. R. Manjunath

Microwave-Assisted Synthesis and Crystal Structure of 1-(4-Chlorophenyl)-4,5-diphenyl-2-(3,4,5-trimethoxy-phenyl)-1H-imidazole

The title compound, 1-(4-chlorophenyl)-4,5-diphenyl-2-(3,4,5-trimethoxy-phenyl)-1H-imidazole, was synthesized using a domestic microwave oven, and the structure of the product obtained was confirmed by X-ray diffraction (XRD) studies. The compound, C30H25ClN2O3, crystallizes in the triclinic crystal class in the space group with cell parameters a = 10.635(15) Å, b = 12.262(2) Å, c = 11.656(3) Å, α = 69.817(15)°, β = 64.630(6)°, γ = 73.503(16)°, and Z = 2. The structure has been solved by direct methods and refined to R 1 = 0.0764 for 3078 unique reflections with I > 2σ(I). The imidazole ring in the structure adopts a planar conformation. No classic hydrogen bonds were found in the structure.

Synthesis and Characterization of Organic NLO Compound

Organic compound 1‐(2 thiophene)‐3‐(2, 3, 5‐trichloroph enyl)‐2‐propen‐1‐one [TTCP] with molecular formula C13H7Cl3OS was synthesized using condensation reaction method. FT‐IR spectra were recorded to identify the various functional groups present in the compound. The third harmonic optical nonlinearity test was carried out using z‐scan technique. The single crystals were grown using slow evaporation solution growth technique. Optical absorption studies reveal that the crystal is transparent in the entire visible region and absorption (around 364 nm) takes place in the UV‐region. The single‐crystal XRD studies were carried out, and it was found that the compound crystallizes in the monoclinic system with a space group P21/c. The observed lattice parameters are a = 16.6170(6) A b = 7.6180(5) A c = 10.9280(11) A and V = 1338.47(17) A3.

Synthesis and Crystal Structure of S-ethyl-2(tert-butoxycarbonylamino)-4-methyl-pentanethioate

S-ethyl-2(tert-butoxycarbonylamino)-4-methyl-pentanethioate (Boc-Leu-SEt) was synthesized by the mixed anhydride method IBCF/HOBt. The product obtained was characterized by 1H NMR, MS, and IR techniques, and finally confirmed by X-ray diffraction method. The compound crystallizes in the orthorhombic space group P212121 with cell parameters a = 9.674(8) Å, b = 10.659(7) Å, c = 16.219(13) Å with Z = 4. The structure exhibits both inter and intramolecular hydrogen bonds of the type N–H···O and C–H···O. The molecule possesses a chiral center at C9.

Crystal and Molecular Structure Studies of a Novel 1-Benzhydryl-piperazine Derivative: 1-Benzhydryl-4-(4-chloro-2-fluoro-benzene-sulfonyl)-piperazine

The title compound 1-benzhydryl-4-(4-chloro-2-fluoro-benzenesulfonyl)-piperazine was synthesized, and structure of the product obtained was confirmed by the X-ray diffraction study. The compound C23H22ClFN2O2S crystallizes in the monoclinic crystal class in the space group P21/c with cell parameters a = 9.6180(7) Å , b = 12.9670(10) Å , c = 19.4020(12) Å , β = 114.716(3)°, and Z = 4. The structure has been solved by direct methods and refined to R 1 = 0.0440 for 3877 observed reflections with I > 2σ(I). The structure reveals that the piperazine ring is in a chair conformation. The geometry around the S atom is distorted tetrahedral.

7-Chloro-5-cyclo-propyl-9-methyl-5H-4,5,6,10-tetra-aza-dibenzo[a,d]cyclo-hepten-11(10H)-one.

In the title compound, C15H13ClN4O, which is a chloro derivative of the drug Nevirapine, the diazepine ring is in a twisted boat conformation. The pyridine rings fused to the diazepine fragment form a dihedral angle of 58.44 (10)° and the molecule adopts a butterfly shape. The molecules are joined via N—H⋯N hydrogen bonding into polymeric chains down the b axis. All weaker C—H⋯O interactions involve the carbonyl O atom as acceptor.

N-[4-Cyano-3-(trifluoro­meth­yl)phen­yl]-2-eth­oxy­benzamide

In the title compound, C17H13F3N2O2, the two aromatic rings are essentially coplanar, forming a dihedral angle of 2.78 (12)°. The non-H atoms of the ethoxy group are coplanar with the attached ring [maximum deviation = 0.271 (3) Å]. An intramolecular N—H⋯O hydrogen bond occurs. In the crystal structure, molecules are linked by intermolecular C—H⋯N and C—H⋯F hydrogen bonds.