
Acta Cryst. (2012). E68, o3297 [ doi:10.1107/S1600536812044868 ]
Abstract: In the title hydrate, C13H11N3O·H2O, the benzotriazole ring system is planar (r.m.s. deviation = 0.007 Å) and is almost orthogonal to the phenyl ring to which it is linked by a methylene group, forming a dihedral angle of 81.87 (15)°. In the crystal, molecules are linked into chains along [001] by O-H
O hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C-H
O, C-H
and
-
[centroid-centroid distance between the five- and six-membered rings of the benzotriazole ring system = 3.595 (3) Å] interactions.
![]() ![]() Hyper-Text Markup Language (HTML) file | |
![]() ![]() Chemical Markup Language (CML) file (4.8 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