Cargando…
Crystal structures of two triazola-dioxola-benzenacyclononaphanes
In the title compounds, C(25)H(29)BrN(5)O(7), (I) [systematic name: (Z)-1(5)-bromo-3(2),3(2)-dimethyl-2(1)-nitro-2(2),2(3),2(5),2(6),2(7),2(7a),3(3a),3(5),3(6),3(6a)-decahydro-2(1) H,6(1) H-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],...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518911/ https://www.ncbi.nlm.nih.gov/pubmed/26279878 http://dx.doi.org/10.1107/S205698901501141X |
Sumario: | In the title compounds, C(25)H(29)BrN(5)O(7), (I) [systematic name: (Z)-1(5)-bromo-3(2),3(2)-dimethyl-2(1)-nitro-2(2),2(3),2(5),2(6),2(7),2(7a),3(3a),3(5),3(6),3(6a)-decahydro-2(1) H,6(1) H-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 C(24)H(29)N(5)O(7)S, (II) [systematic name: (Z)-3(2),3(2)-dimethyl-2(7)-nitro-2(5),2(6),2(7),2(7a),3(3a),3(5),3(6),3(6a)-octahydro-2(1) H,2(3) H,6(1) H-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). |
---|