A new conformer of 1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazacyclononane.
A second polymorphic form (form II) of the previously reported 1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazacyclononane (form I), C(27)H(33)N(3)O(6)S(3), is presented. The molecular structures of the two forms display very different conformations, thus prompting the two forms to crystallize in two different space groups and exhibit quite diverse crystal structure assemblies. Form I crystallizes in the triclinic space group P\overline{1}, while form II crystallizes in the monoclinic space group P2(1)/n. The main differences between the two molecular structures are the conformations of the p-tosyl groups relative to each other and to the macrocyclic ring. The resulting crystal packing displays no classical hydrogen bonds, but different supramolecular synthons give rise to different packing motifs.
André
Vânia
V
Centro de Química Estrutural, Instituto Superior Técnico, Avenida Rovisco Pais, 1049-001 Lisboa, Portugal.
Barroso
Sónia
S
Martins
Ana M
AM
Duarte
M Teresa
MT
D001372:Aza Compounds / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D011336:Probability; D013450:Sulfones / Q000737:chemistry*
C525603:1,4,7-tris(p-tolylsulfonyl)-1,4,7-triazacyclononane; D001372:Aza Compounds; D013450:Sulfones