Refinement of the structure of solid nitromethane
作者： S. F. Trevino , E. Prince , C. R. Hubbard
DOI: 10.1063/1.440431
关键词: Orthorhombic crystal system 、 Methyl group 、 Diffraction 、 Chemistry 、 Nitromethane 、 X-ray crystallography 、 Crystallography 、 Single crystal 、 Neutron diffraction 、 Crystal structure
摘要: The complete determination of the crystal structure solid nitromethane has been obtained from single x‐ray diffraction and neutron powder data. is orthorhombic, space group P212121 with a=5.1832 A, b=6.2357 c=8.5181 A at T=4.2 K, Z=4. Two models were used to describe thermal motion methyl group, one anisotropic temperature factors for hydrogen atoms constrained correspond a threefold rotation around C–N bond, other treating as rigid body, tortional oscillation about bond axis.
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