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Synthesis and Crystal Structure of 2-Benzylamino-6-methyl-3-cyano-8- phenyl-5H-bispyrazolo[3,4-d,3',2'-b]pyrimidine

Synthesis and Crystal Structure of 2-Benzylamino-6-methyl-3-cyano-8- phenyl-5H-bispyrazolo[3,4-d,3',2'-b]pyrimidine
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摘要 The title compound 2-benzylamino-6-methyl-3-cyano-8-phenyl-5H-bispyrazolo[3,4-d,3',2'-b]pyrimidine crystallizes in orthorhombic, space group Pbca with a = 17.945(7), b =10.862(4), c = 19.481(7) A°, β = 90°, Z = 8, V = 1151.8(4) A°^3, Mr = 379.43, Dx = 1.327 g/cm^3,μ(MoKa) = 0.084 mm^-1, F(000) = 1584, the final R = 0.0513 and wR = 0.1128 for 2608 observed reflections (I 〉 2σ(I)). X-ray analysis reveals that the tricyclic portion of the molecule is effectively planar. In addition, there exist three intermolecular hydrogen bonds. The title compound 2-benzylamino-6-methyl-3-cyano-8-phenyl-5H-bispyrazolo[3,4-d,3',2'-b]pyrimidine crystallizes in orthorhombic, space group Pbca with a = 17.945(7), b =10.862(4), c = 19.481(7) A°, β = 90°, Z = 8, V = 1151.8(4) A°^3, Mr = 379.43, Dx = 1.327 g/cm^3,μ(MoKa) = 0.084 mm^-1, F(000) = 1584, the final R = 0.0513 and wR = 0.1128 for 2608 observed reflections (I 〉 2σ(I)). X-ray analysis reveals that the tricyclic portion of the molecule is effectively planar. In addition, there exist three intermolecular hydrogen bonds.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2005年第8期962-964,共3页 结构化学(英文)
关键词 crystal structure bispyrazolo[3 4-d 3' 2'-b]pyrimidine synthesis crystal structure, bispyrazolo[3,4-d, 3',2'-b]pyrimidine, synthesis
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  • 1Chen, W. Q.; Jin, G. Y. Phosphorus, Sulfur and Silicon, and the Related Elements 2002, 177, 1193-1200.
  • 2All, A.; Taylor, G. E.; Graham, D. W. WO 0129045(2001 ); Chem. Abstr., 134, 311225u (2001).
  • 3Armstrong, S. A.; Berge, J. M.; Brown, P.; Elder, J. S.; Forrest, A. K.; Hamprecht, D. W.; Javest, R. L. WO 0071524 (2002).
  • 4EI Bendary, E. R.; Badria, E A. Arch. Pharm. 2003, 333, 99-103.
  • 5Tetsuya, A.; Shogo, M.; Fumio, I.; Ma.suo, Y.; Masafuml, N. EP 0733633(1996).
  • 6SMART 5.0 and SAINT 4.0for Windows NT: Area Detector Control and Integration Software; Bruker Analytical X-ray Systems, Inc.:Madison, WI 1998.
  • 7Wang, H. Q.; Liu, Z. J.; Ding, M. W. Chinese J. Struct. Chem. 2004, 23, 1133-1137.
  • 8Sheldrick, G. M. SHELXTL: Structure Determination Software Programs, Bruker Analytical X-ray System, Inc., Madison, WI, U.S.A 1997.
  • 9Allen, E H.; Kennard, O.; Watson, D. G.; Brammer, L.; Prpen, A. G.; Taylor, R. J. Chem. Soc. Perkin Trans. 2 1987, S1-S19.

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