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Ethyl 2-(tert-butoxy-carbonyl-amino)-1,3-benzothia-zole-6-carboxyl-ate.

ABSTRACT: In the crystal of the title compound, C(15)H(18)N(2)O(4)S, inversion dimers are formed by inter-molecular N-H?N hydrogen bonds and weak C-H?O contacts. These dimers stack up along [100] through inversion-related ?-? inter-actions between thia-zole rings [centroid-centroid distance = 3.790?(2)?Å] and the thia-zole and benzene rings [centroid-centroid distance = 3.845?(2)?Å] and C-H?? contacts.

SUBMITTER: Lei C

PROVIDER: S-EPMC2984018 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

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Ethyl 2-(tert-butoxy-carbonyl-amino)-1,3-benzothia-zole-6-carboxyl-ate.

Lei Can C Fang Xin X Yu Hai-Yang HY Huang Ming-Dong MD Wang Jun-Dong JD

Acta crystallographica. Section E, Structure reports online 20100324 Pt 4

In the crystal of the title compound, C(15)H(18)N(2)O(4)S, inversion dimers are formed by inter-molecular N-H⋯N hydrogen bonds and weak C-H⋯O contacts. These dimers stack up along [100] through inversion-related π-π inter-actions between thia-zole rings [centroid-centroid distance = 3.790 (2) Å] and the thia-zole and benzene rings [centroid-centroid distance = 3.845 (2) Å] and C-H⋯π contacts. ...[more]

PMID: 21580724

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