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

Sreeramapura D. Archana, Haruvegowda Kiran Kumar, Holehundi J. Shankara Prasad, Hemmige S. Yathirajan, Sean Parkin

Research output: Contribution to journalArticlepeer-review

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 languageEnglish
Pages (from-to)1028-1033
Number of pages6
JournalActa Crystallographica Section E: Crystallographic Communications
Volume78
Issue number10
DOIs
StatePublished - 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.

FundersFunder number
National Science Foundation Arctic Social Science ProgramMRI 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

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