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Crystal structure and Hirshfeld surface analysis of 4-benzyl-2$H$-benzo[$b$][1,4]oxazin-3(4$H$)-one

Date

Date

Date
2025
Journal Article
Published version

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El Haddad, S., Blacque, O., Hökelek, T., Labd, T. M., El Ghayati, L., Sebbar, N. K., & Mazzah, A. (2025). Crystal structure and Hirshfeld surface analysis of 4-benzyl-2$H$-benzo[$b$][1,4]oxazin-3(4$H$)-one. Acta Crystallographica Section E: Crystallographic Communications, 81, 920–923. https://doi.org/10.1107/s2056989025007686

Abstract

Abstract

Abstract

The molecule of the title compound, C${15}$H${13}$NO${2}$, comprises a non-planar oxazine ring (twisted–boat conformation) fused to a benzene ring, and a benzyl moiety. In the crystal, C—H...O hydrogen bonds link the molecules into [010] supramolecular chains, enclosing R ${2}$ $^{2}$(9) ring motifs. C—H...π interactions and very weak π–π stacking between the benzene rings of adjacent molecules help to consolidate the packing. A Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are fr

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Creators (Authors)

  • El Haddad, Soukaina
  • Hökelek, Tuncer
  • Labd, Taha Mohamed
  • El Ghayati, Lhoussaine
  • Sebbar, Nada Kheira
  • Mazzah, Ahmed

Journal/Series Title

Journal/Series Title

Journal/Series Title

Volume

Volume

Volume
81

Number

Number

Number
10

Page range/Item number

Page range/Item number

Page range/Item number
920

Page end

Page end

Page end
923

Item Type

Item Type

Item Type
Journal Article

Dewey Decimal Classifikation

Dewey Decimal Classifikation

Dewey Decimal Classifikation

Keywords

1,4-benzoxazin-3-ones, C—H⋯π inter­action., crystal structure, heterocycles

Language

Language

Language
English

Publication date

Publication date

Publication date
2025-09-05

Date available

Date available

Date available
2026-02-06

Publisher

Publisher

Publisher
International Union of Crystallography

ISSN or e-ISSN

ISSN or e-ISSN

ISSN or e-ISSN
1600-5368

OA Status

OA Status

OA Status
Gold

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PubMed ID

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El Haddad, S., Blacque, O., Hökelek, T., Labd, T. M., El Ghayati, L., Sebbar, N. K., & Mazzah, A. (2025). Crystal structure and Hirshfeld surface analysis of 4-benzyl-2$H$-benzo[$b$][1,4]oxazin-3(4$H$)-one. Acta Crystallographica Section E: Crystallographic Communications, 81, 920–923. https://doi.org/10.1107/s2056989025007686

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