5-Amino-5'-bromo-6-(4-methyl-benzo-yl)-8-nitro-2,3-di-hydro-1H-spiro-[imidazo[1,2-a]pyridine-7,3'-indolin]-2'-one including an unknown solvate.

ABSTRACT: In the title compound, C22H18BrN5O4, the central six-membered ring, derived from 1,4-di-hydro-pyridine, adopts a distorted boat conformation with a puckering amplitude of 0.197?(3)?Å, the imidazole ring adopts a twisted conformation with a puckering amplitude of 0.113?(3)?Å, and the oxindole moiety is planar with an r.m.s. deviation of 0.0125?Å. Two intra-molecular N-H?O hydrogen bonds are formed, each closing an S(6) loop. In the crystal, strong N-H?O hydrogen bonds lead to the formation of zigzag chains along the c axis. These are consolidated in the three-dimensional crystal packing by weak N-H?O hydrogen bonding, as well as by C-H?O, C-H?Br and C-H?? inter-actions. A small region of electron density well removed from the main mol-ecule was removed with the SQUEEZE procedure in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155] following unsuccessful attempts to model it as a plausible solvent mol-ecule. The unit-cell characteristics do not take into account this feature of the structure.

SUBMITTER: Nagalakshmi RA 

PROVIDER: S-EPMC4120621 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature