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Yang XH, Chen XB, Zhou SX. 3-(2-Amino-ethyl)-2-(4-chloro-anilino)-quinazolin-4(3H)-one methanol 0.75-solvate. Acta Crystallogr Sect E Struct Rep Online. 2008;65:o185-6doi: 10.1107/S160053680804049X.
Yang, X. H., Chen, X. B., & Zhou, S. X. (2008). 3-(2-Amino-ethyl)-2-(4-chloro-anilino)-quinazolin-4(3H)-one methanol 0.75-solvate. Acta crystallographica. Section E, Structure reports online, 65o185-6. https://doi.org/10.1107/S160053680804049X
Yang, Xu-Hong, et al. "3-(2-Amino-ethyl)-2-(4-chloro-anilino)-quinazolin-4(3H)-one methanol 0.75-solvate." Acta crystallographica. Section E, Structure reports online vol. 65 (2008): o185-6. doi: https://doi.org/10.1107/S160053680804049X
Yang XH, Chen XB, Zhou SX. 3-(2-Amino-ethyl)-2-(4-chloro-anilino)-quinazolin-4(3H)-one methanol 0.75-solvate. Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 07;65:o185-6. doi: 10.1107/S160053680804049X. PMID: 21581640; PMCID: PMC2968094.
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Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 07;65:o185-6. doi: 10.1107/S160053680804049X.

3-(2-Amino-ethyl)-2-(4-chloro-anilino)-quinazolin-4(3H)-one methanol 0.75-solvate.

Acta crystallographica. Section E, Structure reports online

Xu-Hong Yang, Xiao-Bao Chen, Si-Xuan Zhou

PMID: 21581640 PMCID: PMC2968094 DOI: 10.1107/S160053680804049X

Abstract

In the asymmetric unit of the title compound, C(16)H(15)ClN(4)O·0.75CH(3)OH, there are two independent quinazolin-4(3H)-one mol-ecules and one and a half methanol mol-ecules. One of the methanol mol-ecules is disordered over two positions with equal occupancies. The dihedral angles between the quinazoline ring system and the chloro-benzene ring in the two quinazolin-4(3H)-one mol-ecules are essentially the same, at 39.83 (1) and 39.84 (1)°. Intra-molecular N-H⋯N and O-H⋯O, and inter-molecular N-H⋯O and N-H⋯N hydrogen bonds are observed. In addition, π-π stacking inter-actions, with centroid-to-centroid distances of 3.654 (1), 3.766 (1) and 3.767 (1) Å, and weak C-H⋯π inter-actions, are 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

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