Crystal structure of 5-amino-5'-chloro-6-(4-chloro-benzo-yl)-8-nitro-2,3-di-hydro-1H-spiro-[imidazo[1,2-a]pyridine-7,3'-indolin]-2'-one including an unknown solvent mol-ecule.

ABSTRACT: The asymmetric unit of the title compound, C21H15Cl2N5O4, contains two independent mol-ecules (A and B) having similar conformations. The amine (NH2) group forms an intra-molecular hydrogen bond with the benzoyl group, giving an S(6) ring motif in both mol-ecules. The central six-membered rings adopt sofa conformations and the imidazole rings are planar (r.m.s deviations = 0.0150 and 0.0166?Å). The pyridine and imidazole rings are inclined to one another by 3.54?(1) and 3.03?(1)° in mol-ecules A and B, respectively. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming chains along the a axis which enclose R 2 (2)(16) ring motifs. The rings are linked by weak N-H?O and C-H?O hydrogen bonds and C-H?? inter-actions forming sheets lying parallel to (001). A region of disordered electron density, most probably disordered solvent mol-ecules, occupying voids of ca 753?Å(3) for an electron count of 260, was treated using the SQUEEZE routine in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]. Their formula mass and unit-cell characteristics were not taken into account during refinement.

SUBMITTER: Nagalakshmi RA 

PROVIDER: S-EPMC4186207 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature