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Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methyl-phen-yl)carbamo-yl]phenyl acetate.

ABSTRACT: The title compound, C₁₇H₁₇NO₃, was synthesized, characterized by IR spectroscopy and its crystal structure was determined from single-crystal diffraction data. The asymmetric unit contains two mol-ecules, which adopt different conformations. In one mol-ecule, the acet-oxy and the terminal 2-methyl-phenyl groups are positioned on opposite sides of the plane formed by the central benzene ring, whereas in the other mol-ecule they lie on the same side of this plane. In the crystal, the mol-ecules are linked through strong N-H⋯O hydrogen bonds into chains along [010]. Hirshfeld surface analysis and fingerprint plots were used to investigate the inter-molecular inter-actions in the solid state.

SUBMITTER: Yaman M

PROVIDER: S-EPMC6509679 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature

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Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methyl-phen-yl)carbamo-yl]phenyl acetate.

Yaman Mavişe M Cakmak Şukriye Ş Dege Necmi N Odabaşoğlu Mustafa M Pavlenko Vadim A VA Kutuk Halil H

Acta crystallographica. Section E, Crystallographic communications 20190305 Pt 4

The title compound, C17H17NO3, was synthesized, characterized by IR spectroscopy and its crystal structure was determined from single-crystal diffraction data. The asymmetric unit contains two mol-ecules, which adopt different conformations. In one mol-ecule, the acet-oxy and the terminal 2-methyl-phenyl groups are positioned on opposite sides of the plane formed by the central benzene ring, whereas in the other mol-ecule they lie on the same side of this plane. ...[more]

PMID: 31161049

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