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An amide cyclo-phane.

ABSTRACT: The title compound, 8,18-dithia-2,6-diaza-13(1,4)-piperidina-1(1,2),4(1,3),7(1,2)-tribenzenaoctadecaphane-10,15-diyne-3,6-dione, C32H30N4O2S2, is composed of a relatively planar bis-(2-mercaptophen-yl)isophthalamide unit linked to a bridging 1,4-di(but-2-yn-1-yl)piperazine unit, forming a macrocycle. The isophthalamide ring is inclined to the outer mercaptophenyl rings by 8.18?(11) and 5.59?(10)°, while these two rings are inclined to one another by 9.10?(12)°. The piperazine ring adopts a chair conformation. There are two intra-molecular N-H?S hydrogen bonds generating S(5) ring motifs. In the crystal, mol-ecules are linked via C-H?S and C-H?O hydrogen bonds, forming slabs lying parallel to (001). An O atom in the isophthalamide group is disordered over two positions with an occupancy ratio of 0.41?(6):0.59?(6).

SUBMITTER: Viswanathan V

PROVIDER: S-EPMC4158555 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature

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An amide cyclo-phane.

Viswanathan Vijayan V Thirunarayanan Ayyavu A Rajakumar Perumal P Velmurugan Devadasan D

Acta crystallographica. Section E, Structure reports online 20140711 Pt 8

The title compound, 8,18-dithia-2,6-diaza-13(1,4)-piperidina-1(1,2),4(1,3),7(1,2)-tribenzenaoctadecaphane-10,15-diyne-3,6-dione, C32H30N4O2S2, is composed of a relatively planar bis-(2-mercaptophen-yl)isophthalamide unit linked to a bridging 1,4-di(but-2-yn-1-yl)piperazine unit, forming a macrocycle. The isophthalamide ring is inclined to the outer mercaptophenyl rings by 8.18 (11) and 5.59 (10)°, while these two rings are inclined to one another by 9.10 (12)°. The piperazine ring adopts a chair ...[more]

PMID: 25249913

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