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Crystal structure and Hirshfeld surface analysis of new polymorph of racemic 2-phenyl-butyramide.

ABSTRACT: A new polymorph of the title compound, C₁₀H₁₃NO, was obtained by recrystallization of the commercial product from a water/ethanol mixture (1:1 v/v). Crystals of the previously reported racemic and homochiral forms of 2-phenyl-butyramide were grown from water-aceto-nitrile solution in 1:1 volume ratio [Khrustalev et al. (2014 ▸). Cryst. Growth Des. 14, 3360-3369]. While the previously reported racemic and enanti-opure forms of the title compound adopt very similar supra-molecular structures (hydrogen-bonded ribbons), the new racemic polymorph is stabilized by a single N-H⋯O hydrogen bond that links mol-ecules into chains along the c-axis direction with an anti-parallel (centrosymmetric) packing in the crystal. Hirshfeld mol-ecular surface analysis was employed to compare the inter-molecular inter-actions in the polymorphs of the title compound.

SUBMITTER: Rigin S

PROVIDER: S-EPMC6658964 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of new polymorph of racemic 2-phenyl-butyramide.

Rigin Sergei S Armijo Beatrice B Krivoshein Arcadius V AV Fonari Marina M Timofeeva Tatiana T

Acta crystallographica. Section E, Crystallographic communications 20190521 Pt 6

A new polymorph of the title compound, C10H13NO, was obtained by recrystallization of the commercial product from a water/ethanol mixture (1:1 v/v). Crystals of the previously reported racemic and homochiral forms of 2-phenyl-butyramide were grown from water-aceto-nitrile solution in 1:1 volume ratio [Khrustalev et al. (2014 ▸). Cryst. Growth Des. 14, 3360-3369]. While the previously reported racemic and enanti-opure forms of the title com ...[more]

PMID: 31391975

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