Open Access5‐ tert ‐Butyl‐4‐bromo‐1,2‐dihydro‐1 H ‐pyrazol‐3(2 H )‐one monohydrate
Author(s) -
Lynch Daniel E.,
McClenaghan Ian
Publication year - 2005
Publication title -
acta crystallographica section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536805012791
Subject(s) - hydrogen bond , hexa , chemistry , graph , stereochemistry , crystallography , pyrazole , bioinformatics , combinatorics , molecule , mathematics , organic chemistry , biology
The structure of the title compound, C 7 H 11 BrN 2 O·H 2 O, exhibits an elaborate hydrogen‐bonding network involving pyrazole N—H⋯O dimers and two other hydrogen‐bonding motifs, both including water molecules. One motif is a distorted hexagonal R 3 5 (11) graph set, while the other is a distorted octagonal boat conformation R 6 4 (14) graph set.