Acta Cryst. (2006). C62, o125-o128 [ doi:10.1107/S0108270106002186 ]
X (X = O and ![[pi]](/logos/entities/pi_rmgif.gif)
) hydrogen bonds and perpendicular dipole carbonyl-carbonyl interactionsAbstract: The molecular and supramolecular structures of 2-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate, C16-H15NO4, (I), and its para isomer, 4-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)phenyl acetate, (II), are reported. The torsion angle between the succinimide and benzene rings depends on the position of the acetoxy substitution [89.7 (1) and 61.9 (1)° for (I) and (II), respectively]. The twist of the acetoxy group relative to the mean plane of the benzene ring is almost independent of the acetoxy position [66.0 (1) and 70.0 (1)°]. Packing interactions for both compounds include soft C-HX (X = O and Ph) interactions, forming chains of centrosymmetric dimers and interlinked chains for (I) and (II), respectively. In addition, three perpendicular dipole C=OC=O interactions contribute to the supramolecular structure of (II).
Formula: C16H15NO4
 |   Structure factor file (CIF format) (161.4 kbytes) |
| Structure factor file (CIF format) (169.2 kbytes) |
To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.
The download button will force most browsers to prompt for a file name to store the data on your hard disk.
Where possible, images are represented by thumbnails.
Copyright © International Union of Crystallography
IUCr Webmaster