Diethyl [(3-cyano-1-phenyl-sulfonyl-1H-indol-2-yl)meth-yl]phospho-nate.

ABSTRACT: In the title compound, C(20)H(21)N(2)O(5)PS, the indole ring is essentially planar, with a maximum deviation of -0.0083?(18)?Å. The methyl C atom of the methyl-phospho-nate group and the S atom lie 0.104?(2) and -0.2158?(6)?Å, respectively, from the indole mean plane. The sulfonyl-bound phenyl ring is almost perpendicular to the indole ring system, with a dihedral angle of 82.30?(8)°. The ethyl side chains are disordered over two sets of sites, with occupancy factors of 0.737?(5)/0.263?(5) and 0.529?(11)/0.471?(11). In the crystal, mol-ecules are linked into centrosymmetric dimers via C-H?O hydrogen bonds, resulting in an R(2) (2)(18) graph-set motif. The crystal structure is further stabilized by C-H?? inter-actions.

SUBMITTER: Karthikeyan S 

PROVIDER: S-EPMC3100058 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature