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Crystal structure and Hirshfeld surface analysis of 2-chloro-N-(4-meth-oxy-phen-yl)acetamide.

ABSTRACT: In the title mol-ecule, C₉H₁₀ClNO₂, the meth-oxy group lies very close to the plane of the phenyl ring while the acetamido group is twisted out of this plane by 28.87 (5)°. In the crystal, a three-dimensional structure is generated by N-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds plus C-H⋯π(ring) inter-actions. A Hirshfeld surface analysis of the inter-molecular inter-actions was performed and indicated that C⋯H/H⋯C inter-actions make the largest contribution to the surface area (33.4%).

SUBMITTER: Missioui M

PROVIDER: S-EPMC9260361 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 2-chloro-N-(4-meth-oxy-phen-yl)acetamide.

Missioui Mohcine M Guerrab Walid W Nchioua Intissar I El Moutaouakil Ala Allah Abderrazzak A Kalonji Mubengayi Camille C Alsubari Abdulsalam A Mague Joel T JT Ramli Youssef Y

Acta crystallographica. Section E, Crystallographic communications 20220607 Pt 7

In the title mol-ecule, C9H10ClNO2, the meth-oxy group lies very close to the plane of the phenyl ring while the acetamido group is twisted out of this plane by 28.87 (5)°. In the crystal, a three-dimensional structure is generated by N-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds plus C-H⋯π(ring) inter-actions. A Hirshfeld surface analysis of the inter-molecular inter-actions was performed and indicated that C⋯H/H⋯C inter-actions make the largest contribution to the sur ...[more]

PMID: 35855360

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