Isomorphous crystal structures of chlorodi-acetyl-ene and iododi-acetyl-ene derivatives: simultaneous hydrogen and halogen bonds on carbon-yl.

ABSTRACT: The crystal structures of tert-butyl (5-chloro-penta-2,4-diyn-1-yl)carbamate, C₁₀H₁₂ClNO₂ (II), and tert-butyl (5-iodo-penta-2,4-diyn-1-yl)carbamate, C₁₀H₁₂INO₂ (IV), are isomorphous to previously reported structures and accordingly their mol-ecular and supra-molecular structures are similar. In the crystals of (II) and (IV), mol-ecules are linked into very similar two-dimensional wall organizations with anti-parallel carbamate groups involved in a combination of hydrogen and halogen bonds (bifurcated N-H⋯O=C and C≡C-X⋯O=C inter-actions on the same carbonyl group). There is no long-range parallel stacking of diynes, so the topochemical polymerization of di-acetyl-ene is preven

SUBMITTER: Baillargeon P 

PROVIDER: S-EPMC5598843 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature