Crystal structure and Hirshfeld surface analysis of N,N'-(2,2-dichloro-3-oxo-3-phenylpropane-1,1-diyl)diacetamide

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Guseinov F. I., Huseynov F. E., Afanaseva K. A., Ugrak B. I., Glukhov L. M., Samigullina A. I., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.81, sa.Pt 9, ss.788-791, 2025 (ESCI, Scopus)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 81 Sayı: Pt 9
• Basım Tarihi: 2025
• Doi Numarası: 10.1107/s205698902500670x
• Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
• Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
• Sayfa Sayıları: ss.788-791
• Anahtar Kelimeler: crystal structure, C—H· · ·π interactions, Hirshfeld surface analysis, hydrogen bonds, α,α-dihalogenβ-oxoaldehydes
• Erciyes Üniversitesi Adresli: Evet

Özet

The conformation of the title molecule, C13H14Cl2N2O3, is maintained by intramolecular N—H· · ·O, C—H· · ·O, and C—H· · ·Cl interactions, creating S(6), S(5), and S(6) motifs, respectively. In the crystal, intermolecular N—H· · ·O, C—H· · ·O, and C—H· · ·Cl interactions connect the molecules, forming a three-dimensional network. Additionally, the molecules are linked by C—H· · ·π interactions, forming layers parallel to the (002) plane. The most important interactions, according to Hirshfeld two-dimensional fingerprint plots, are H· · ·H (35.0%), O· · ·H/H· · ·O (21.2%), Cl· · ·H/H· · ·Cl (20.7%), and C· · ·H/ H· · ·C (17.1%).