Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 12 (December 2004)

sk1783 scheme

Acta Cryst. (2004). C60, o872-o875 [doi:10.1107/S0108270104026137]

Isomeric nitrophthalimides: sheets built from N-HO and C-HO hydrogen bonds

C. Glidewell, J. N. Low, J. M. S. Skakle and J. L. Wardell

Abstract: Molecules of 3-nitrophthalimide, C₈H₄N₂O₄, are linked into sheets by a combination of one N-HO hydrogen bond [HO = 1.99 Å, NO = 2.8043 (14) Å and N-HO = 176°] and two independent C-HO hydrogen bonds [HO = 2.36 and 2.56 Å, CO = 3.1639 (16) and 3.4386 (16) Å, and C-HO = 142 and 153°], and these sheets are linked into pairs by a single [bold pi] - stacking interaction. Molecules of isomeric 4-nitrophthalimide are linked into sheets by a combination of one three-centre N-H(O)₂ hydrogen bond [HO = 2.14 and 2.55 Å, NO = 2.974 (3) and 3.231 (3) Å, N-HO = 151 and 131°, and OHO = 76°] and two independent two-centre C-HO hydrogen bonds [HO = 2.38 and 2.54 Å, CO = 3.257 (4) and 3.452 (4) Å, and C-HO = 156 and 168°].

Formula: Two isomers of C₈H₄N₂O₄

Online 11 November 2004


	Structure factor file (CIF format) (84.0 kbytes) Contains datablock I

	Structure factor file (CIF format) (49.9 kbytes) Contains datablock II

Notes:

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.