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Tert-But-yl(2-hy-droxy-eth-yl)aza-nium 4-[(1,3-thia-zol-2-yl-aza-nid-yl)sulfon-yl]aniline.

ABSTRACT: Two pairs of independent cations and anions comprise the asymmetric unit of the title salt, C(6)H(16)NO(+)·C(9)H(8)N(3)O(2)S(2) (-). The cations are virtually superimposable and each exhibits a gauche disposition of the hy-droxy O and ammonium N atoms [the O-C-C-N torsion angles are 55.5?(3) and 57.5?(3)°]. Significant differences are seen in the mol-ecular structures of the anions as seen in the S-N-C-S [1.1?(3) and 32.9?(3)°] and C-S-N-C [-69.7?(2) and 91.4?(2)°] torsion angles. Despite the variations in conformation, intra-molecular hypervalent S?O inter-actions persist in each anion [3.078?(2) and 2.8730?(19)?Å]. In the crystal, supra-molecular double layers are formed in the bc plane, being sustained by O-H?N, N-H?O and N-H?N hydrogen bonding. These are connected along the a axis via C-H?O inter-actions.

SUBMITTER: Arman HD

PROVIDER: S-EPMC3435687 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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tert-But-yl(2-hy-droxy-eth-yl)aza-nium 4-[(1,3-thia-zol-2-yl-aza-nid-yl)sulfon-yl]aniline.

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

Acta crystallographica. Section E, Structure reports online 20120808 Pt 9

Two pairs of independent cations and anions comprise the asymmetric unit of the title salt, C(6)H(16)NO(+)·C(9)H(8)N(3)O(2)S(2) (-). The cations are virtually superimposable and each exhibits a gauche disposition of the hy-droxy O and ammonium N atoms [the O-C-C-N torsion angles are 55.5 (3) and 57.5 (3)°]. Significant differences are seen in the mol-ecular structures of the anions as seen in the S-N-C-S [1.1 (3) and 32.9 (3)°] and C-S-N-C [-69.7 (2) and 91.4 (2)°] torsion angles. Despite the va ...[more]

PMID: 22969558

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