Display options
Cite
Cai ZH, Chen XB, Yang XH, et al. 3-(2-Amino-eth-yl)-2-[4-(trifluoro-meth-oxy)anilino]quinazolin-4(3H)-one. Acta Crystallogr Sect E Struct Rep Online. 2010;66:o1854-5doi: 10.1107/S1600536810024645.
Cai, Z. H., Chen, X. B., Yang, X. H., & Wang, X. (2010). 3-(2-Amino-eth-yl)-2-[4-(trifluoro-meth-oxy)anilino]quinazolin-4(3H)-one. Acta crystallographica. Section E, Structure reports online, 66o1854-5. https://doi.org/10.1107/S1600536810024645
Cai, Zhao-Hui, et al. "3-(2-Amino-eth-yl)-2-[4-(trifluoro-meth-oxy)anilino]quinazolin-4(3H)-one." Acta crystallographica. Section E, Structure reports online vol. 66 (2010): o1854-5. doi: https://doi.org/10.1107/S1600536810024645
Cai ZH, Chen XB, Yang XH, Wang X. 3-(2-Amino-eth-yl)-2-[4-(trifluoro-meth-oxy)anilino]quinazolin-4(3H)-one. Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 30;66:o1854-5. doi: 10.1107/S1600536810024645. PMID: 21588052; PMCID: PMC3006720.
Copy Download .nbib Format: NLM
Share it on

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 30;66:o1854-5. doi: 10.1107/S1600536810024645.

3-(2-Amino-eth-yl)-2-[4-(trifluoro-meth-oxy)anilino]quinazolin-4(3H)-one.

Acta crystallographica. Section E, Structure reports online

Zhao-Hui Cai, Xiao-Bao Chen, Xu-Hong Yang, Xiang Wang

PMID: 21588052 PMCID: PMC3006720 DOI: 10.1107/S1600536810024645

Abstract

In the title compound, C(17)H(15)F(3)N(4)O(2), the dihedral angle between the trifluoro-meth-oxy-substituted benzene ring and the pyrimidinone ring is 45.1 (5)°, while that between the fused benzene ring and the pyrimidinone ring is 0.67 (1)°. Part of one of the benzene rings and its trifluoro-meth-oxy substituent are disordered over two positions of approximately equal occupancy (0.51:0.49). Inter-molecular N-H⋯O and N-H⋯N hydrogen bonds contribute to the stability of the crystal structure. A weak intra-molecular C-H⋯F contact is also found. In addition, π-π stacking inter-actions, with centroid-centroid distances in the range 3.673 (6)-3.780 (8) Å, and weak C-H⋯π inter-actions are also observed.

References

  1. J Med Chem. 1998 May 21;41(11):1869-82 - PubMed
  2. Pharmazie. 1997 Mar;52(3):189-94 - PubMed
  3. J Med Chem. 2002 Jul 4;45(14):3057-66 - PubMed
  4. J Med Chem. 1999 Nov 4;42(22):4705-13 - PubMed
  5. J Med Chem. 1997 May 9;40(10):1519-29 - PubMed
  6. J Med Chem. 1991 Apr;34(4):1492-503 - PubMed
  7. Pharm Acta Helv. 1999 Dec;74(1):11-7 - PubMed
  8. J Med Chem. 2001 Aug 16;44(17):2719-34 - PubMed
  9. Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22 - PubMed

Publication Types