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, C(9)H(10)N(2)O(2), have been determined by low-temperature neutron single-crystal diffraction. Neutron diffraction allows the full description of the H-atom 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.
authors.affiliation: ISIS Facility, CCLRC Rutherford Appleton Laboratory, Chilton, Didcot OX11 0QX, England. c.k.leech@rl.ac.uk
authors.forename: Charlotte K
authors.initials: CK
authors.lastname: Leech
authors.forename: Sarah A
authors.initials: SA
authors.lastname: Barnett
authors.forename: Kenneth
authors.initials: K
authors.lastname: Shankland
authors.forename: Matthias
authors.initials: M
authors.lastname: Gutmann
authors.forename: Chick C
authors.initials: CC
authors.lastname: Wilson