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Persistent URL http://purl.org/net/epubs/work/36240
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Record Id 36240
Title Accurate molecular structures and hydrogen bonding in two polymorphs of ortho-acetamidobenzamide by single-crystal neutron diffraction
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
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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