Abstract
Synthesis and crystal structures of 1-benzoyl-4-(4-nitrophenyl)piperazine, C17H17N3O3, (I) and 1-(4-bromobenzoyl)-4-phenylpiperazine, C17H17BrN2O, (II) are described. Compounds I and II crystallize in the orthorhombic and monoclinic crystal systems with space groups Pna21 (Z′ = 2, I) and P21 (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.
Original language | English |
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Pages (from-to) | 1028-1033 |
Number of pages | 6 |
Journal | Acta Crystallographica Section E: Crystallographic Communications |
Volume | 78 |
Issue number | 10 |
DOIs | |
State | Published - Oct 1 2022 |
Bibliographical note
Publisher Copyright:© 2022 International Union of Crystallography. All rights reserved.
Funding
Funding for this research was provided by: NSF (MRI CHE1625732) and the University of Kentucky (Bruker D8 182 Venture diffractometer). HSY thanks the UGC for a BSR Faculty fellowship for three years.
Funders | Funder number |
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National Science Foundation Arctic Social Science Program | MRI CHE1625732 |
University of Kentucky | |
University Grants Commission |
Keywords
- absolute structure
- aggregate crystal
- crystal structure
- piperazine
ASJC Scopus subject areas
- General Chemistry
- General Materials Science
- Condensed Matter Physics