Abstract
By means of gas electronography studies combined with nonempirical calculations (BLYP/6-31G*) data on the structure of 5-fluorouracyl corresponding to the theoretical calculations were obtained. Some propeties of 5-fluorouracyl as compared to its isomer, 6-fluorouracyl, were studied. Main geometrical parameters of 5-fluorouracyl molecule are as follows: interatomic distances (r α, A) N1-C1 1.396(1), N3-C4 1.412(1), C4-C5 1.452(1), C3=C6 1.452, C6-C1 1.349, C-F 1.337(2); bond angles, deg: N1C2N3 113.6(2), C2N3C4 128.9(5), N3C4C5 113.0(2), C4C5C6 120.2(3), C5C6N1 121.1(4), C6N1C2 123.3(4), FC5C6 120.3. Pyrimidine cycle was regarded as planar according to the quantum chemical calculations. Comparative analysis of difference in 5- and 6-fluorouracyl + H2O systems was carried out.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
