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Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate.

ABSTRACT: The quinoxaline moiety in the title mol-ecule, C₁₃H₁₃ClN₂O₃, is almost planar (r.m.s. deviation of the fitted atoms = 0.033 Å). In the crystal, C-H⋯O hydrogen bonds plus slipped π-stacking and C-H⋯π(ring) inter-actions generate chains of mol-ecules extending along the b-axis direction. The chains are connected by additional C-H⋯O hydrogen bonds. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (37.6%), H⋯O/O⋯H (22.7%) and H⋯Cl/Cl⋯H (13.1%) inter-actions.

SUBMITTER: Mustaphi NEH

PROVIDER: S-EPMC10993606 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-di-hydro-quinoxalin-1-yl)acetate.

Mustaphi Nour El Hoda NEH Aboutofil Fatima Ezzahra FE El Houssni Lamyae L Saif Eiad E Mague Joel T JT Chkirate Karim K Essassi El Mokhtar EM

Acta crystallographica. Section E, Crystallographic communications 20240326 Pt 4

The quinoxaline moiety in the title mol-ecule, C13H13ClN2O3, is almost planar (r.m.s. deviation of the fitted atoms = 0.033 Å). In the crystal, C-H⋯O hydrogen bonds plus slipped π-stacking and C-H⋯π(ring) inter-actions generate chains of mol-ecules extending along the b-axis direction. The chains are connected by additional C-H⋯O hydrogen bonds. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are ...[more]

PMID: 38584741

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