@article{oai:kanazawa-u.repo.nii.ac.jp:00009930, author = {本田, 光典 and 須田, 光広 and 藤波, 修平 and 国本, 浩喜 and Taniguchi, Kazutaka and Okumura, Hisako and Honda, Mitsunori and Suda, Mitsuhiro and Fujinami, Shuhei and Kuwae, Akio and Hanai, Kazuhiko and Maeda, Shiro and Kunimoto, Ko-Ki}, issue = {9}, journal = {X-ray Structure Analysis Online}, month = {Sep}, note = {The crystal structure of a new polymorph of 1-acetyl-2-thiohydantoin has been determined by X-ray diffraction. The crystal, C5H6N2O2S, belongs to space group P1 with cell dimensions of a = 4.9865(7)Å, b = 5.5716(7)Å, c = 12.544(2)Å, a = 74.793(8)°, b = 80.413(9)°, g = 85.001(10)°. The final R1 value is 0.036 for 1304 reflections (I > 2.0s(I)). In the new polymorph, intermolecular hydrogen bonds are formed between the acetyl C=O and the amide N-H groups [N(1)·O(2)(i) 2.800(2)Å, N(1)-H·O(2)(i) 151.02o, symmetry codes: (i) x+1, y-1, z] to form an infinite chain structure. On the other hand, the hydrogen bonds in the known form are formed between the amide C=O and the amide N-H groups of the thiohydantoin rings. 2009 © The Japan Society for Analytical Chemistry., 金沢大学理工研究域物質化学系}, pages = {93--94}, title = {A new polymorph of 1-acetyl-2-thiohydantoin}, volume = {25}, year = {2009} }