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4-Amino-N-(2,3-di-hydro-1,3-thia-zol-2-yl-idene)benzene-sulfonamide-2,4,6-tris-(pyr-idin-2-yl)-1,3,5-triazine (1/1).

ABSTRACT: The sulfa-thia-zole mol-ecule in the title 1:1 co-crystal, C9H9N3O2S2·C18H12N6, adopts an approximate L-shape [dihedral angle between the five- and six-membered rings = 86.20?(9)°] and features an intra-molecular hypervalent S?O inter-action [2.8666?(15)?Å]. Overall, the triazine mol-ecule has the shape of a disk as the pendant pyridine rings are relatively close to coplanar with the central ring [dihedral angles = 18.35?(9), 6.12?(9) and 4.67?(9)°]. In the crystal packing, a linear supra-molecular chain aligned along [01-1] is formed as a result of amino-pyridyl N-H?N hydrogen bonding with syn-disposed pyridyl mol-ecules of one triazine, and amine-pyridyl N-H?N hydrogen bonding with the third pydridyl ring of a second triazine mol-ecule. A three-dimensional architecture arises as the chains are connected by C-H?O inter-actions.

SUBMITTER: Arman HD

PROVIDER: S-EPMC3998630 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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4-Amino-N-(2,3-di-hydro-1,3-thia-zol-2-yl-idene)benzene-sulfonamide-2,4,6-tris-(pyr-idin-2-yl)-1,3,5-triazine (1/1).

Arman Hadi D HD Kaulgud Trupta T Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20140308 Pt 4

The sulfa-thia-zole mol-ecule in the title 1:1 co-crystal, C9H9N3O2S2·C18H12N6, adopts an approximate L-shape [dihedral angle between the five- and six-membered rings = 86.20 (9)°] and features an intra-molecular hypervalent S⋯O inter-action [2.8666 (15) Å]. Overall, the triazine mol-ecule has the shape of a disk as the pendant pyridine rings are relatively close to coplanar with the central ring [dihedral angles = 18.35 (9), 6.12 (9) and 4.67 (9)°]. In the crystal packing, a linear supra-molecu ...[more]

PMID: 24826120

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