Crystal structures of two triazola-dioxola-benzena­cyclo­nona­phanes

Acta Crystallographica Section E: Crystallographic Communications

Viswanathan, V.¹  Velmurugan, D.¹  Rao, N.S.²  Raghunathan, R.² 

[1] Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India;Department of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, India

关键词: CRYSTAL STRUCTURE;    TRIAZOLE;    DIOXALABENZENACYCLONONAPHANE;    PYRROLIZINE;    PYRROLOTHIAZOLE;    TETRAHYDRODURODIOXOLE;    CHIRAL;    HYDROGEN BONDING;   

DOI  :  10.1107/S205698901501141X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compounds, C25H29BrN5O7, (I) [systematic name: (Z)-15-bromo-32,32-dimethyl-21-nitro-22,23,25,26,27,27a,33a,35,36,36a-deca­hydro-21H,61H-4,9-dioxa-2(3,2)-pyrrolizina-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzena­cyclo­nona­phane], and C24H29N5O7S, (II) [systematic name: (Z)-32,32-dimethyl-27-nitro-25,26,27,27a,33a,35,36,36a-octa­hydro-21H,23H,61H-4,9-dioxa-2(5,6)-pyrrolo­[1,2-c]thia­zola-6(4,1)-triazola-3(5,6)-furo[2,3-d][1,3]dioxola-1(1,2)-benzena­cyclo­nona­phane], the triazole rings adopt almost planar conformations. In (I), the fused pyrrolidine rings adopt envelope conformations with the C atoms opposite the fused N—C bond as the flap in each ring, and their mean planes are inclined to one another by 52.8 (3)°. In (II), the pyrrolidine and thia­zole rings are both twisted on the fused N—C bond, and their mean planes are inclined to one another by 70.8 (2)°. In both (I) and (II), the furan ring adopts an envelope conformation with the adjacent C atom of the macrocycle as the flap. In the crystal of (I), mol­ecules are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming sheets parallel to (10-1), while in (II), mol­ecules are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming helical chains propagating along [010], which are linked via C—H⋯S hydrogen bonds, forming slabs parallel to (001).

【 授权许可】

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