4-Nitro-benzoic acid-N-(pyrimidin-2-yl)aniline (1/1).

ABSTRACT: Four independent mol-ecules comprise the asymmetric unit of the title co-crystal, C(10)H(9)N(3)·C(7)H(5)NO(4), two for each component. Small conformational differences are noted for the benzoic acid derivatives, notably in the twists of the carb-oxy-lic acid residue out of the plane of the benzene ring to which it is connected [torsion angles = 167.62?(17) and 174.54?(17)°]. In the aniline derivative, the major difference is observed in the dihedral angles formed between the CN(3) and phenyl least-squares planes [1.51?(5) and 6.25?(6)°]. Pairs of mol-ecules associate via O-H?N and N-H?O hydrogen bonds leading to eight-membered {?HOCO?HNCN} hetero-synthons. The two-mol-ecule aggregates are consolidated in the crystal structure by C-H?O(nitro) and ?-? inter-actions [shortest centroid-centroid distance between benzene rings = 3.6242?(10)?Å].

SUBMITTER: Aznan AM 

PROVIDER: S-EPMC3247469 | biostudies-other | 2011 Nov

REPOSITORIES: biostudies-other