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Crystal structure of 1,13,14-tri-aza-dibenz[a,j]anthracene 1,1,2,2-tetra-chloro-ethane monosolvate.

ABSTRACT: The asymmetric unit of the title compound, C19H11N3·C2H2Cl4, consists of one half-mol-ecule of 1,13,14-tri-aza-dibenz[a,j]anthracene (dibenzo[c,h]-1.9,10-anthyridine, dbanth) and one half of 1,1,2,2-tetra-chloro-ethane (TCE), both of which are located on a crystallographic twofold rotation axis. The dihedral angle between the planes of the terminal benzene rings in dbanth is 3.59?(7)° owing to the steric repulsion between the H atoms in the two benzo groups and the H atom in the central pyridine ring of the anthridine skeleton. In the crystal, ?-? inter-actions between pyridine rings [centroid-centroid distances = 3.568?(2) and 3.594?(2)?Å] link the dbanth mol-ecules to form a one-dimensional columnar structure along the c axis. The dbanth and TCE mol-ecules are connected through weak bifurcated C-H?(N,N) hydrogen bonds.

SUBMITTER: Koizumi TA

PROVIDER: S-EPMC4459339 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of 1,13,14-tri-aza-dibenz[a,j]anthracene 1,1,2,2-tetra-chloro-ethane monosolvate.

Koizumi Take-Aki TA Hariu Tomohiro T Sei Yoshihisa Y

Acta crystallographica. Section E, Crystallographic communications 20150523 Pt 6

The asymmetric unit of the title compound, C19H11N3·C2H2Cl4, consists of one half-mol-ecule of 1,13,14-tri-aza-dibenz[a,j]anthracene (dibenzo[c,h]-1.9,10-anthyridine, dbanth) and one half of 1,1,2,2-tetra-chloro-ethane (TCE), both of which are located on a crystallographic twofold rotation axis. The dihedral angle between the planes of the terminal benzene rings in dbanth is 3.59 (7)° owing to the steric repulsion between the H atoms in the two benzo groups and the H atom in the central pyridine ...[more]

PMID: 26090149

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