Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine and 1-(4-bromobenzoyl)-4-phenylpiperazine at 90 K

Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine, C 17 H 17 N 3 O 3 , ( I ) and 1-(4-bromobenzoyl)-4-phenylpiperazine, C 17 H 17 BrN 2 O, ( II ) are described. Compounds I and II crystallize in the orthorhombic and monoclinic crystal systems with space groups Pna 2 1 ( Z ′ =...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2022-10, Vol.78 (10), p.1028-1033
Main Authors: Archana, Sreeramapura D., Kiran Kumar, Haruvegowda, Shankara Prasad, Holehundi J., Yathirajan, Hemmige S., Parkin, Sean
Format: Article
Language:English
Subjects:
absolute structure
aggregate crystal
crystal structure
piperazine
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Summary:Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine, C 17 H 17 N 3 O 3 , ( I ) and 1-(4-bromobenzoyl)-4-phenylpiperazine, C 17 H 17 BrN 2 O, ( II ) are described. Compounds I and II crystallize in the orthorhombic and monoclinic crystal systems with space groups Pna 2 1 ( Z ′ = 2, I ) and P 2 1 ( Z ′ = 1, II ), respectively. The crystal of II was a two-component aggregate, treated as a `twin' for data-acquisition purposes. There are no conventional hydrogen bonds in either I or II , but there are weaker C—H...O contacts. Each molecule consists of a central piperazine ring in a chair conformation, with either benzoyl and nitrophenyl ( I ) or 4-bromobenzoyl and phenyl ( II ) groups attached to different nitrogen atoms of the piperazine. The various atom–atom contact coverages as quantified by Hirshfeld surface analysis fingerprint plots are given.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989022009008