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2,4-Diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine.

ABSTRACT: The asymmetric unit of the title compound, C(20)H(17)N(3), contains two crystallographically independent mol-ecules (A and B). In mol-ecule A, the two benzene rings form dihedral angles of 74.12?(7) and 7.83?(7)° with the pyridine ring, while in mol-ecule B these angles are 77.48?(7) and 21.50?(7)°. The seven-membered heterocyclic ring adopts a boat conformation in both mol-ecules. In the crystal structure, each of the independent mol-ecules forms a centrosymmetric R(2) (2)(8) dimer linked by paired N-H?N hydrogen bonds. The crystal structure is further stabilized by inter-molecular C-H?N hydrogen bonds and C-H?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2977810 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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2,4-Diphenyl-4,5-dihydro-3H-pyrido[2,3-b][1,4]diazepine.

Fun Hoong-Kun HK Yeap Chin Sing CS Hazra Anita A Jana Subrata S Goswami Shyamaprosad S

Acta crystallographica. Section E, Structure reports online 20090430 Pt 5

The asymmetric unit of the title compound, C(20)H(17)N(3), contains two crystallographically independent mol-ecules (A and B). In mol-ecule A, the two benzene rings form dihedral angles of 74.12 (7) and 7.83 (7)° with the pyridine ring, while in mol-ecule B these angles are 77.48 (7) and 21.50 (7)°. The seven-membered heterocyclic ring adopts a boat conformation in both mol-ecules. In the crystal structure, each of the independent mol-ecules forms a centrosymmetric R(2) (2)(8) dimer linked by pa ...[more]

PMID: 21583947

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