Meso-(1S*,21R*)-25-methyl-8,11,14-trioxa- 22,24,25-triazatetracyclo-[19.3.1.02,7.015,20]pentacosa-2, 4,6,15(20),16,18-hexaene-23-thione chloroform monosolvate

The title compound crystallizes as a chloroform solvate, C 20H23N3O3S·CHCl3, with two crystallographically independent units. The independent units have distinctly different interaction patterns between the azacrown macrocycle and the chloroform solvent molecule. In one of them, the chloroform molecule forms C - H···N and Cl···H - C hydrogen bonds with the azacrown macrocycle (as a proton donor and an acceptor, respectively), whereas in the other, one of the chloroform molecules is bound to the azacrown macrocycle by an attractive Cl···O [3.080 (3)Å] interaction. The azacrown macrocycles of different units are structurally similar; the aza-14-crown-3-ether ring adopts a bowl conformation with dihedral angles between the planes of the fused benzene rings of 60.7 (1) and 68.0 (1)°. The triazinanethione ring in both cases has a sofa conformation. The crystal packing is characterized by N - H···S, N - H···O, C - H···Cl and C - H···S hydrogen bonds.

Authors
Hieu T.H. 1 , Anh L.T.1 , Soldatenkov A.T. 2 , Kurilkin V.V. 2 , Khrustalev V.N.3
Number of issue
10
Language
English
Pages
o2848-o2849
Status
Published
Volume
68
Year
2012
Organizations
  • 1 Department of Chemistry, Vietnam National University, 144 Xuan Thuy, Cau Giay, Hanoi, Viet Nam
  • 2 Organic Chemistry Department, Russian Peoples Friendship University, Miklukho-Maklaya St. 6, Moscow, 117198, Russian Federation
  • 3 X-Ray Structural Centre, A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov St., B-334, Moscow 119991, Russian Federation
Date of creation
19.10.2018
Date of change
19.10.2018
Short link
https://repository.rudn.ru/en/records/article/record/2259/
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