Abstract
In the title compound, C25H13Cl2F4N3, there are four planar systems, viz. three benzene rings and a pyrazolo[1,5-a]pyrimidine system [r.m.s. deviation = 0.002 Å]. The dihedral angle between the dichlorophenyl ring and the unsubstituted phenyl ring is 69.95 (5)°, while that between the fluorophenyl ring and the unsubstituted phenyl ring is 7.97 (10)°. The crystal packing is dominated by van der Waals interactions. A Cl⋯Cl interaction of 3.475 (3) Å also occurs.
Highlights
In the title compound, C25H13Cl2F4N3, there are four planar systems, viz. three benzene rings and a pyrazolo[1,5-a]pyrimidine system [r.m.s. deviation = 0.002 A ]
As a part of our ongoing study of pyrazolo[1,5-a]pyrimidine derivatives containing 5-(4fluorophenyl) and 3-(2,4-dichlorophenyl) substituents (Liu, et al, 2012), we report the crystal structure of the title compound
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.004 A; R factor = 0.051; wR factor = 0.143; data-to-parameter ratio = 12.6. C25H13Cl2F4N3, there are four planar systems, viz. Three benzene rings and a pyrazolo[1,5-a]pyrimidine system [r.m.s. deviation = 0.002 A ]. The dihedral angle between the dichlorophenyl ring and the unsubstituted phenyl ring is 69.95 (5), while that between the fluorophenyl ring and the unsubstituted phenyl ring is 7.97 (10). The crystal packing is dominated by van der Waals interactions. A ClÁ Á ÁCl interaction of 3.475 (3) Aalso occurs. For the synthesis of other pyrozolo[1,5-a]pyrimidine derivatives and for their pharmacological applications, see: Fraley et al (2012); Dalinger et al (2005); Dennis et al (2004)
Sign-in/Register to view highlights & summary 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 callMore From: Acta crystallographica. Section E, Structure reports online
Disclaimer: 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.
