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Bis(1-tosyl-2-pyrrol-yl)ethyne.

ABSTRACT: The title mol-ecule, C(24)H(20)N(2)O(4)S(2), has crystallographic inversion symmetry with a triple-bond distance of 1.206?(2)?Å. The alkyne is not quite linear, with a C-C C angle of 175.78?(16)°. The planar pyrrole rings are parallel but offset from coplanarity by 0.318?(1)?Å. The conformation of the sulfonyl group with respect to the pyrrole ring is such that an O atom is nearly eclipsed with this ring, having an O-S-N-C torsion angle of 3.48?(11)°. C-H?O inter-actions [C?O 3.278?(2)?Å, 136° about H] between pyrrole H and sulfonyl O atoms lead to the formation of ladder-like chains.

SUBMITTER: Tanui HK

PROVIDER: S-EPMC2915200 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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Bis(1-tosyl-2-pyrrol-yl)ethyne.

Tanui Hillary K HK Fronczek Frank R FR Vicente M Graça H MG

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The title mol-ecule, C(24)H(20)N(2)O(4)S(2), has crystallographic inversion symmetry with a triple-bond distance of 1.206 (2) Å. The alkyne is not quite linear, with a C-C C angle of 175.78 (16)°. The planar pyrrole rings are parallel but offset from coplanarity by 0.318 (1) Å. The conformation of the sulfonyl group with respect to the pyrrole ring is such that an O atom is nearly eclipsed with this ring, having an O-S-N-C torsion angle of 3.48 (11)°. C-H⋯O inter-actions [C⋯O 3.278 (2) Å, 136° a ...[more]

PMID: 21200695

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