@article{oai:kanazawa-u.repo.nii.ac.jp:00015244, author = {Nakagaki, Ryoichi and Kohtani, Shigeru and Nakamura, Yuko and Okamura, Michiyo and Kitoh, Sohichi and Kunimoto, Koki}, journal = {Analytical Sciences: X-ray Structure Analysis Online}, month = {Jan}, note = {Crystal structure of 4-N,N-dimethylamino-2,3,5,6-tetrafluorobenzonitrile (4F-DMABN) has been determined by X-ray diffraction. This compound crystallizes in the monoclinic system, space group P21/c, with unit cell parameters: a = 4.373(2)Å, b = 10.654(6)Å, c = 20.05(1)Å, β = 92.92(2)°, Z = 4, V = 933.2(9)Å3. The crystal structure was solved by direct methods and refined by full-matrix least squares to final values of R = 0.082 and Rw = 0.089 with 1129 reflections (I>1.20σ(I)). The dimethylamino group is out of the aromatic ring plane. The dihedral angle between the least-squares planes of the aromatic ring and the dimethylamino group is 32.73(5)°. The aromatic ring has a significant quinoid nature.}, pages = {x5--x6}, title = {Crystal Structure of 4-N,N-Dimethylamino-2,3,5,6-tetrafluorobenzonitrile}, volume = {19}, year = {2003} }