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Dimethyl [(4-fluoro-phen-yl)(6-methoxy-benzothia-zol-2-ylamino)meth-yl]phospho-nate.

ABSTRACT: In the mol-ecule of title compound, C(17)H(18)FN(2)O(4)PS, both the benzene ring with its conjunction C atom and the benzothia-zole ring with its conjunction N atom are close to planar (the maximum deviations are 0.0267 and 0.0427?Å for the benzene and benzothiazole rings, respectively), the dihedral angle between the planes of the benzothia-zole and benzene rings is 119.05?(3)°. The mol-ecular packing is stabilized by inter-molecular N-H?O, C-H?N and C-H?F hydrogen bonding, and by C-H?? and ?-? stacking inter-actions [centroid-centroid distances = 2.99?(2), 2.96?(3), 2.88?(2) and 3.773?(4)?Å].

SUBMITTER: Hong YP 

PROVIDER: S-EPMC2969702 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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Dimethyl [(4-fluoro-phen-yl)(6-methoxy-benzothia-zol-2-ylamino)meth-yl]phospho-nate.

Hong Yan-Ping YP   Song Bao-An BA   Shangguan Xin-Chen XC  

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

In the mol-ecule of title compound, C(17)H(18)FN(2)O(4)PS, both the benzene ring with its conjunction C atom and the benzothia-zole ring with its conjunction N atom are close to planar (the maximum deviations are 0.0267 and 0.0427 Å for the benzene and benzothiazole rings, respectively), the dihedral angle between the planes of the benzothia-zole and benzene rings is 119.05 (3)°. The mol-ecular packing is stabilized by inter-molecular N-H⋯O, C-H⋯N and C-H⋯F hydrogen bonding, and by C-H⋯π and π-π  ...[more]

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