5H-Thio-chromeno[2,3-b]pyridine-5,10,10-trione.

ABSTRACT: The asymmetric unit of the title compound, C(12)H(7)NO(3)S, contains two independent mol-ecules with different geometric-al configurations. The dihedral angles between the benzene and pyridine rings in the two mol-ecules are 3.7?(2) and 5.40?(19)°. The central heterocyclic fused rings have different puckering parameters [Q = 0.122?(3)?Å, ? = 100.4?(13), ? = 185.3?(19)° in one mol-ecule, 0.101?(3)?Å, 101.4?(3) and 2?(2)° in the other]. The SO(2) group is oriented at dihedral angles of 81.06?(14) and 82.58?(15)° with the benzene and pyridine rings, respectively, in one mol-ecule [87.21?(14) and 87.66?(14)° in the second]. In the crystal, the mol-ecules are linked into zigzag polymeric chains along the b axis by inter-molecular C-H?O hydrogen bonding. ?-? inter-actions with centroid-centroid distances in the range 3.825?(3)-4.153?(3)?Å stabilize the structure. S-O?? and C-O?? inter-actions are also observed.

SUBMITTER: Khan MN 

PROVIDER: S-EPMC2983368 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature