X-Ray Crystallographic analysis of Fungicide monceren N-((4-chlorophenyl)methyl)-N-cyclopentyl-N'-phenylurea

نویسندگان

  • Jyotsna Chauhan
  • Rajesh kumar
چکیده

Monceren N-((4-chlorophenyl)methyl)-N-cyclopentyl-N'-phenylurea, a local Non systemic fungicide with good protectant The activity of fungicides is intimately related to its chemical structure. Knowledge about the chemical structure of a chemical is useful for the synthesis of new compounds with more specific actions and fewer adverse reactions, to increase/decrease the duration of action of the original drug or to get a more potent compound, to restrict the action to a specific system of the body and to reduce the adverse reactions, toxicity and other disadvantages associated. We can understand the basic chemical groups responsible for fungicide action.Recently it has been observed that some of the fungicides are loosing their effects. If their structures are known. , analogous compounds can be designed as a substitute. .A rational approach to test these fungicides is to know the three dimensional structure of these compounds and macromolecular receptor sites as well as their molecular complex .The structures of these compounds can be obtained by X-ray diffraction method in crystalline form and they will invariably be similar to their structure in solutions. The Monceren N-((4-chlorophenyl)methyl)-Ncyclopentyl-N'-phenylurea molecular structures obtain by the XRay Diffraction method in crystalline form. Crystal size of monceren is nearly 0.46 x 0.120 x 0.060 mm. We determine the threedimensional structure, molecular dimensional, molecular geometry, electronic structure and the conformation of fungicides and analyze their crystal structures also. The composition of crystal Monceren N-((4chlorophenyl)methyl)-N-cyclopentyl-N'-phenylurea is confirmed by comparing the infra-red spectra The unit cell parameters are a = 12.1887(12)) Å b = 8.7677(8) Å ,c = 33.063Å α = 90 o , β = 90.00 , γ = 90 o The Crystal system is Orthorhombic.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

The Crystallographic, Spectroscopic and Theoretical Studies on (E)-2-[((4-fluorophenyl)imino)methyl]-4-nitrophenol and (E)-2-[((3-fluorophenyl)imino)methyl]-4-nitrophenol Compounds

In this study, two new salicylideneaniline derivative compounds which are an isomer of each other have been synthesized and characterized by X-Ray Diffraction (XRD) technique, IR spectroscopy, and theoretical method. While (E)-4-(dihydroxyamino)-2-(((4-fluorophenyl)imino) methyl)phenol (1), crystalizes triclinic P-1 space group, (E)-4-(dihydroxyamino)-2-(((3-fluorophenyl)im...

متن کامل

Synthesis, spectroscopic (NMR and FT-IR) and theoretical (HF and DFT) investigation of dimethyl (Z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butendioate

Dimethyl (z)-2-[(2-methyl-5-oxo-1-cyclopentyl)oxy]-2-butenedioate has been synthesized using one-pot three component reaction between N-isocyaniminotriphenylphosphorane (Ph3PNNC), 3-methylcyclopentene-1,2-dione and dimethyl acetylenedicarboxylate. Also, optimized geometry and nuclear magnetic resonance ( NMR ) of the title compound are evaluated using HF and B3LYP methods and 6-311+G(d) basis s...

متن کامل

Photocatalyst Ag@N/TiO2 Nanoparticles: Fabrication, Characterization, and Investigation of the Effect of Coating on Methyl Orange Dye Degradation

In this research, N-doped TiO2 (N/TiO2) nanoparticles have been synthesized by a sol-gel method. N/TiO2 nanoparticle has been coated with Ag metal by photochemical method. Triethylamine, N(CH3CH2)3, have been used as precursors of Nitrogen, titanium tetraiso-propoxide (TTIP), Ti[OCH(CH3)2]4, used as precursors of titanium and Ag(NO3)2 used as precursors of Silver in synthesis of these nanoparti...

متن کامل

Synthesis, Characterization, and Bioactivity of Schiff Bases and Their Cd2+, Zn2+, Cu2+, and Ni2+ Complexes Derived from Chloroacetophenone Isomers with S-Benzyldithiocarbazate and the X-Ray Crystal Structure of S-Benzyl-β-N-(4-chlorophenyl)methylenedithiocarbazate

Two bidentate Schiff base ligands having nitrogen sulphur donor sequence were derived from the condensation of S-benzyldithiocarbazate (SBDTC) with 2-chloroacetophenone and 4-chloroacetophenone to give S-benzyl- β -N-(2-chlorophenyl)methylenedithiocarbazate (NS2) and S-benzyl- β -N-(4-chlorophenyl)methylenedithiocarbazate (NS4) isomers. Each of the ligands was then chelated with Cd(2+), Zn(2+),...

متن کامل

An Evaluation of Pesticide Stress Induced Proteins in three Cyanobacterial Species-Anabaena Fertilissima, Aulosira Fertilissima and Westiellopsis Prolifica using SDS-PAGE

The whole-cell protein-profiling technique was evaluated for studying differences in banding pattern of three different species of Cyanobacteria i.e. Anabaena fertilissima, Aulosira fertilissima and Westiellopsis prolifica under the influence of four different pesticides-2,4-D (Ethyl Ester of 2,4-Dichloro Phenoxy Acetic Acid), Pencycuron (N-[(4-chlorophenyl)methyl]-Ncyclopentyl-N'–phenylurea), ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2013