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3,3'-Dimethyl-4,4'-(hexane-1,6-di-yl)bis-[1H-1,2,4-triazol-5(4H)-one].

ABSTRACT: The title compound, C(12)H(20)N(6)O(2), has a centre of symmetry. The mol-ecule consists of two triazole rings joined by an aliphatic -(CH(2))(6)- chain. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds and by ?-? stacking inter-actions between the triazole rings of inversion-related mol-ecules [centroid-centroid distance = 3.277?(8)?Å].

SUBMITTER: Ustabas R

PROVIDER: S-EPMC2983399 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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3,3'-Dimethyl-4,4'-(hexane-1,6-di-yl)bis-[1H-1,2,4-triazol-5(4H)-one].

Ustabaş Reşat R Coruh Ufuk U Unlüer Dilek D Hökelek Tuncer T Ermiş Emel E

Acta crystallographica. Section E, Structure reports online 20100925 Pt 10

The title compound, C(12)H(20)N(6)O(2), has a centre of symmetry. The mol-ecule consists of two triazole rings joined by an aliphatic -(CH(2))(6)- chain. The crystal structure is stabilized by inter-molecular N-H⋯O hydrogen bonds and by π-π stacking inter-actions between the triazole rings of inversion-related mol-ecules [centroid-centroid distance = 3.277 (8) Å]. ...[more]

PMID: 21587590

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