ePubs
The open archive for STFC research publications
Home
About ePubs
Content Policies
News
Help
Privacy/Cookies
Suggest an Enhancement
Contact ePubs
Full Record Details
Persistent URL
http://purl.org/net/epubs/work/36240
Record Status
Checked
Record Id
36240
Title
Accurate molecular structures and hydrogen bonding in two polymorphs of ortho-acetamidobenzamide by single-crystal neutron diffraction
Contributors
CK Leech (ISIS)
,
SA Barnett (UCL London)
,
K Shankland (ISIS)
,
MJ Gutmann (ISIS)
,
CC Wilson (GlasgowU.)
Abstract
The structures of both known forms of the polymorphic material ortho-acetamidobenzamide, C9H10N2O2, have been determined by low-temperature neutron single-crystal diffraction. Neutron diffraction allows the full description of the Hatom positions in this molecular material, which is vital in benchmarking related crystal-structure predictions. Significant conformational differences are indicated by a number of the torsion angles involving H atoms when compared with previous X-ray studies. A comprehensive description of the hydrogen-bonding scheme in both polymorphs is given.
Organisation
CCLRC
,
ISIS
,
ISIS-SXD
Keywords
ISIS 2006
,
Molecular structure
,
Single crystal neutron diffraction
,
Chemistry
Funding Information
Related Research Object(s):
10.5517/ccnyq8k
,
10.5517/ccnyq9l
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Journal Article
Acta Crystallogr B
62 (2006): 926-930.
doi:10.1107/S0108768106025821
2006
Showing record 1 of 1
Recent Additions
Browse Organisations
Browse Journals/Series
Login to add & manage publications and access information for OA publishing
Username:
Password:
Useful Links
Chadwick & RAL Libraries
SHERPA FACT
SHERPA RoMEO
SHERPA JULIET
Journal Checker Tool
Google Scholar