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(E)-4-[7-(2,3-Di-hydro-thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo-thia-diazol-4-yl]-2-[(neo-pentyl-imino)-meth-yl]phenol.

ABSTRACT: In the title mol-ecule, C24H23N3O3S2, the benzo-thia-diazole ring system is essentially planar, with an r.m.s. deviation of 0.020?(8)?Å. The thio-phene and hy-droxy-substitiuted rings form dihedral angles of 23.43?(9) and 35.45?(9)°, respectively, with the benzo-thia-diazole ring system. An intra-molecular O-H?N hydrogen bond is observed. In the crystal, weak C-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.880?(3)?Å] link mol-ecules into chains along [100]. In addition, there are short S?S contacts [3.532?(3)?Å] which link these chains, forming a two-dimensional network parallel to (010).

SUBMITTER: Mitchell LA 

PROVIDER: S-EPMC4158547 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature

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(E)-4-[7-(2,3-Di-hydro-thieno[3,4-b][1,4]dioxin-5-yl)-2,1,3-benzo-thia-diazol-4-yl]-2-[(neo-pentyl-imino)-meth-yl]phenol.

Mitchell Lauren A LA   Dinser Jordan A JA   Holliday Bradley J BJ  

Acta crystallographica. Section E, Structure reports online 20140705 Pt 8

In the title mol-ecule, C24H23N3O3S2, the benzo-thia-diazole ring system is essentially planar, with an r.m.s. deviation of 0.020 (8) Å. The thio-phene and hy-droxy-substitiuted rings form dihedral angles of 23.43 (9) and 35.45 (9)°, respectively, with the benzo-thia-diazole ring system. An intra-molecular O-H⋯N hydrogen bond is observed. In the crystal, weak C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distance = 3.880 (3) Å] link mol-ecules into chains along [100]. In  ...[more]

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