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7-Chloro-4-(2,5-dichloro-phen-yl)-1-phenyl-1H-thio-chromeno[2,3-b]pyridine-2,5(3H,4H)-dione.

ABSTRACT: In the crystal structure of the title compound, C(24)H(14)Cl(3)NO(2)S, the tetra-hydro-pyridine ring adopts a half-chair conformation and both pendant benzene rings are oriented nearly perpendicular to the thio-chromeno[2,3-b]pyridine system.

SUBMITTER: Wen LR

PROVIDER: S-EPMC2960985 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description: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.

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Project description:The asymmetric unit of the title compound, C(18)H(14)ClNO(3), contains two independent mol-ecules (A and B). In both mol-ecules, the cyclo-hexa-none ring has a chair conformation. The dihedral angles between the pyran ring and the pyridine and chloro-phenyl rings are 2.13 (9) and 2.19 (9)°, respectively, in A, and 0.82 (9) and 1.93 (9)°, respectively, in B. The carbonyl O atoms deviate from the pyran and benzene rings to which they are attached by -0.092 (2) and 0.064 (2) Å, respectively, in A, and by -0.080 (2) and -0.063 (2) Å, respectively, in B. In the crystal, the A mol-ecules are linked via C-H⋯O hydrogen bonds, forming double-stranded chains along [100]. They lie parallel to the double-stranded chains formed by the B mol-ecules, which are also linked via C-H⋯O hydrogen bonds. The chains stack up the c axis in an -A-A-B-B-A-A- manner, with a number of π-π inter-actions involving A and B mol-ecules; the centroid-centroid distances vary from 3.4862 (11) to 3.6848 (11) Å

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Project description:The complete mol-ecule of the title compound, C(4)H(2)Cl(2)O(2)S, is generated by crystallographic twofold symmetry, with the S atom lying on the rotation axis. In the crystal, the molecules are linked by C-H?O hydrogen bonds..

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Project description:The mol-ecule of the title compound, C(12)H(14)Cl(2)O(2), lies about an inversion center. The six-membered ring is almost planar, with the largest deviation from the least-squares plane being 0.014 (4) Å. The mol-ecular conformation is stabilized by a weak intra-molecular C-H⋯O hydrogen bond. In the crystal, mol-ecules are packed into stacks along the c-axis direction, with an inter-centroid separation of 4.811 (2) Å. Neighboring mol-ecules within the stack are related by the c-glide plane.

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Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(8)H(4)ClNO(2). In the crystal, they are linked by N-H?O hydrogen bonds, generating centrosymmetric, tetra-meric assemblies. A C-H?O inter-action also occurs.

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Project description:The title compound, C(8)H(4)ClNO(2), is almost planar (r.m.s. deviation for the non-H atoms = 0.023 Å). In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into C(4) chains propagating in [001] and C-H⋯O inter-actions cross-link the chains.

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