01635nas a2200157 4500008004100000245009500041210006900136260000800205300001200213490000700225520106700232100002401299700001901323700002401342856011101366 2020 eng d00aCrystal structure of a 1:1 co-crystal of the anti-cancer drug gefitinib with azelaic acid 0 aCrystal structure of a 11 cocrystal of the anticancer drug gefit cJUN a884-8880 v763 a

In the title co-crystal, C22H24ClFN4O3·C9H16O4, gefitinib (GTB; systematic name: quinazolin-4-amine) co-crystallizes with azelaic acid (AA; systematic name: nona-nedioic acid). The co-crystal has the monoclinic P21/n centrosymmetric space group, containing one mol-ecule each of GTB and AA in the asymmetric unit. A structure overlay of the GTB mol-ecule in the co-crystal with that of its most stable polymorph revealed a significant difference in the conformation of the morpholine moiety. The significant deviation in the conformation of one of the acidic groups of azelaic acid from its usual linear chain structure could be due to the encapsulation of one acidic group in the pocket formed between the two pincers of GTB namely, the morpholine and phenyl moieties. Both GTB and AA mol-ecules form N-H⋯O, O-H⋯N, C-H⋯O hydrogen bonds with C-H⋯F close contacts along with off-stacked aromatic π-π inter-actions between the GTB mol-ecules.

1 aGeorge, Christy, P.1 aSangtani, Ekta1 aGonnade, Rajesh, G. uhttps://library.ncl.res.in/content/crystal-structure-11-co-crystal-anti-cancer-drug-gefitinib-azelaic-acid