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1-Methane-sulfonyl-1H-1,2,3-benzotriazole.

ABSTRACT: The mol-ecular geometry of the title compound, C(7)H(7)N(3)O(2)S, does not differ much from that of the previously reported 4-toluene-sulfonyl analogue. Unlike the latter compound, however, mol-ecules of the title compound associate primarily via ?-? stacking inter-actions of their benzene rings [centroid-centroid distance = 3.5865?(8)?Å], forming columnar stacks along the crystallographic 2(1) axes. These stacks are inter-connected via weak C-H?O and C-H?N hydrogen bonds.

SUBMITTER: Stepnicka P 

PROVIDER: S-EPMC3009158 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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1-Methane-sulfonyl-1H-1,2,3-benzotriazole.

Stěpnička Petr P   Solařová Hana H   Císařová Ivana I  

Acta crystallographica. Section E, Structure reports online 20101020 Pt 11

The mol-ecular geometry of the title compound, C(7)H(7)N(3)O(2)S, does not differ much from that of the previously reported 4-toluene-sulfonyl analogue. Unlike the latter compound, however, mol-ecules of the title compound associate primarily via π-π stacking inter-actions of their benzene rings [centroid-centroid distance = 3.5865 (8) Å], forming columnar stacks along the crystallographic 2(1) axes. These stacks are inter-connected via weak C-H⋯O and C-H⋯N hydrogen bonds. ...[more]

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