Work

Synthesis and crystal structure of anti -10-(4-cyanophenyl)-10,11,22,23-tetrahydro-9 H ,21 H -5,8:15,12-bis(metheno)[1,5,11]triazacyclohexadecino[1,16- a :5,6- a ′]diindole dichloromethane monosolvate

Year: 2024

Type: article

Abstract: The asymmetric unit of the title compound is composed of one host molecule, anti -4-(1 9 H ,5 9 H -3-aza-1,5(3,9)-dicarbazolacyclooctaphane-3-yl)benzonitrile and one dichloromethane solvate molecule, C 36 H 28 N 4 ·CH 2 Cl 2 . The host molecule possesses a planar chirality but crystallizes as a racemate in the space group P 2 1 / c . It adopts an anti -configuration, in which two carbazole rings are partially overlapped with a parallel orientation. The two carbazole ring systems are slightly bent, and the C atoms at the 3- and 1-positions show the largest deviations from the mean planes. The dihedral angle between two carbazole rings is 9.42 (3)°, forming an intramolecular parallel π–π interaction [ Cg ... Cg = 3.2755 (9) Å]. In the crystal, the molecules are linked via host–host and host–guest C—H...π interactions, forming chain structures along the a -axis direction. The molecules are linked into a ribbon structure along the c- axis direction by further C—H...π interactions. As a result, The molecules are cross-linked by C—H...π interactions into a three-dimensional network.

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989024011782

Authors: Koji Kubono, Keita Tani, Yukiyasu Kashiwagi

Institutions: Osaka Kyoiku University, Osaka Research Institute of Industrial Science and Technology

Language: English

Topic: Crystal structures of chemical compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $500

Funders: Japan Science and Technology Agency, Core Research for Evolutional Science and Technology