원문정보
초록
영어
In view of the growing medicinal importance of pyrazole and its derivatives, the single crystal X-ray diffraction study was carried out for the potential active 2-Benzyl-3-[3-(4-bromo-phenyl)-1-phenyl-1H-pyrazol-4yl]-4,6- dioxo-5-phenyloctahydro- pyrrolo[3,4-C]pyrrole-1-carboxylic acid ethyl ester (C37H31BrN4O4, H2O). In the title compound are two molecules exist in the asymmetric unit. It crystallizes in the monoclinic space group Pî with unit cell dimension a=13.361 (18) Å, b=13.424 (17) Å and c=21.649 (2) Å [α=80.745 (9)o, β=79.770 (10)o and γ=60.788 (6)o]. The pyrazole ring adopts planar conformation. The sum of the bond angles at nitrogen atom of the pyrazole ring indicates the Sp2 hybridized state. The crystal structure is stabilized by intramolecular C-H...O hydrogen bond interaction.
목차
1. Introduction
2. Material and Methods
3. Experimental Section
3.1. Synthesis of the Title Compound
3.2. X-Ray Crystallography
4. Results and Discussion
5. Conclusion
References