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Crystal structure of 3-(4-chloro-phen-oxy)-4-(2-nitro-phen-yl)azetidin-2-one with an unknown solvate.

ABSTRACT: In the title compound, C15H11ClN2O4, the central ?-lactam ring is approximately planar [maximum deviation = 0.044?(2)?Å for the N atom from the mean plane] and subtends dihedral angles of 61.17?(11) and 40.21?(12) °, respectively, with the nitro and chloro-benzene rings. Both substituents lie to the same side of the ?-lactam core. In the crystal, N-H?O hydrogen bonds link the mol-ecules into C(4) chains propagating in [010]. The chains are cross-linked by C-H?O and weak C-H?? inter-actions, generating a three-dimensional network. The solvent mol-ecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155], which indicated a solvent cavity of volume 318?Å(3) containing approximately 114 electrons. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.

SUBMITTER: Celikesir ST 

PROVIDER: S-EPMC4331907 | biostudies-other | 2015 Jan

REPOSITORIES: biostudies-other

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Crystal structure of 3-(4-chloro-phen-oxy)-4-(2-nitro-phen-yl)azetidin-2-one with an unknown solvate.

Çelikesir Sevim Türktekin ST   Akkurt Mehmet M   Jarrahpour Aliasghar A   Shafie Habib Allah HA   Çelik Ömer Ö  

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

In the title compound, C15H11ClN2O4, the central β-lactam ring is approximately planar [maximum deviation = 0.044 (2) Å for the N atom from the mean plane] and subtends dihedral angles of 61.17 (11) and 40.21 (12) °, respectively, with the nitro and chloro-benzene rings. Both substituents lie to the same side of the β-lactam core. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into C(4) chains propagating in [010]. The chains are cross-linked by C-H⋯O and weak C-H⋯π inter-actions, gene  ...[more]

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