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3-(3-Meth-oxy-phen-yl)benzo[d]thia-zolo[3,2-a]imidazol-9-ium hydrogen sulfate.

ABSTRACT: In the title mol-ecular salt, C(16)H(13)N(2)OS(+)·HSO(4) (-), the thia-zolo[3,2-a]benzimidazolium ring system is roughly planar [maximum deviation = 0.046?(3)?Å] and makes a dihedral angle of 58.22?(11)° with the benzene ring. The meth-oxy group is almost coplanar with its attached benzene ring [C(meth-yl)-O-C-C = -1.6?(5)°]. In the crystal, the cation is linked to the anion by a bifurcated N-H?(O,O) hydrogen bond, generating an R(1) (2)(4) ring motif. The ion pairs are then connected by a C-H?O hydrogen bond into inversion dimers and these dimers are further linked by O-H?O hydrogen bonds into an infinite tape along [100]. A ?-? stacking inter-action [centroid-to-centroid distance = 3.5738?(18)?Å] and a short inter-molecular contact [S?O = 2.830?(3)?Å] are also observed.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3414329 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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3-(3-Meth-oxy-phen-yl)benzo[d]thia-zolo[3,2-a]imidazol-9-ium hydrogen sulfate.

Fun Hoong-Kun HK Chia Tze Shyang TS Alafeefy Ahmed M AM Abdel-Aziz Hatem A HA

Acta crystallographica. Section E, Structure reports online 20120710 Pt 8

In the title mol-ecular salt, C(16)H(13)N(2)OS(+)·HSO(4) (-), the thia-zolo[3,2-a]benzimidazolium ring system is roughly planar [maximum deviation = 0.046 (3) Å] and makes a dihedral angle of 58.22 (11)° with the benzene ring. The meth-oxy group is almost coplanar with its attached benzene ring [C(meth-yl)-O-C-C = -1.6 (5)°]. In the crystal, the cation is linked to the anion by a bifurcated N-H⋯(O,O) hydrogen bond, generating an R(1) (2)(4) ring motif. The ion pairs are then connected by a C-H⋯O ...[more]

PMID: 22904862

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