Unknown

Dataset Information

0

Crystal structure of (Z)-ethyl 2-{5-[(2-benzyl-idene-3-oxo-2,3-di-hydro-benzo[b][1,4]thia-zin-4-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate.

ABSTRACT: The title compound, C22H20N4O3S, features two fused six-membered rings linked to a 1,2,3-triazole ring which is attached to an ethyl acetate group. The heterocycle in the benzo-thia-zine residue has an envelope conformation with the S atom being the flap. The conformation of the ethyl acetate side chain, which is directed to the same side of the mol-ecule as the C6 ring of the fused-ring system, may be partially established by a pair of weak intra-molecular C-H⋯O(carbon-yl) inter-actions. The three-dimensional packing is aided by inter-molecular C-H⋯O and C-H⋯N inter-actions.

SUBMITTER: Ellouz M 

PROVIDER: S-EPMC4719958 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

Crystal structure of (Z)-ethyl 2-{5-[(2-benzyl-idene-3-oxo-2,3-di-hydro-benzo[b][1,4]thia-zin-4-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate.

Ellouz M M   Sebbar N K NK   Essassi E M EM   Ouzidan Y Y   Mague J T JT  

Acta crystallographica. Section E, Crystallographic communications 20151206 Pt 12

The title compound, C22H20N4O3S, features two fused six-membered rings linked to a 1,2,3-triazole ring which is attached to an ethyl acetate group. The heterocycle in the benzo-thia-zine residue has an envelope conformation with the S atom being the flap. The conformation of the ethyl acetate side chain, which is directed to the same side of the mol-ecule as the C6 ring of the fused-ring system, may be partially established by a pair of weak intra-molecular C-H⋯O(carbon-yl) inter-actions. The th  ...[more]

Similar Datasets

Unknown Ethyl 2-{5-[(3-oxo-3,4-di-hydro-2H-1,4-benzo-thia-zin-4-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate.
| S-EPMC3998284 | biostudies-literature
Unknown 4-[(1-Benzyl-1,2,3-triazol-5-yl)meth-yl]-2H-1,4-benzo-thia-zin-3(4H)-one.
| S-EPMC3998426 | biostudies-literature
Unknown 4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth-yl]-2H-1,4-benzo-thia-zin-3(4H)-one.
| S-EPMC3998319 | biostudies-literature
Unknown 2-(3-Oxo-3,4-dihydro-2H-1,4-benzo-thia-zin-4-yl)acetic acid monohydrate.
| S-EPMC2970497 | biostudies-literature
Unknown 4-(Prop-2-yn-yl)-2H-1,4-benzo-thia-zin-3(4H)-one.
| S-EPMC4050998 | biostudies-literature
Unknown Ethyl {4-[(1,5-dimethyl-2,4-dioxo-2,3,4,5-tetra-hydro-1H-1,5-benzo-diazepin-3-yl)meth-yl]-1,2,3-triazol-1-yl}acetate.
| S-EPMC3009227 | biostudies-literature
Unknown Methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzothia-zin-4-yl)acetate.
| S-EPMC3051955 | biostudies-literature
Unknown N-[4-(9-Chloro-quino[3,2-b]benzo[1,4]thia-zin-6-yl)but-yl]acetamide.
| S-EPMC3588930 | biostudies-literature
Unknown Ethyl 2-{4-[(1,5-dibenzyl-2,4-dioxo-2,3,4,5-tetra-hydro-1H-1,5-benzo-diazepin-3-yl)meth-yl]-1H-1,2,3-triazol-1-yl}acetate.
| S-EPMC2980270 | biostudies-literature
Unknown (2Z)-2-Benzyl-idene-4-n-butyl-3,4-di-hydro-2H-1,4-benzo-thia-zin-3-one.
| S-EPMC4051051 | biostudies-literature