Jones, Peter G. published the artcileMethylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns, Recommanded Product: 1,1-Dimethylthiourea, the publication is Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials (2013), 69(4), 405-413, database is CAplus and MEDLINE.
The authors have redetermined the known structures of (i) methylthiourea (MTU) and (ii) 1,1-dimethylthiourea (1,1-DMTU), and studied the structure of 1,3-dimethylthiourea (1,3-DMTU), which was however severely disordered. The authors report the structures of crystalline adducts of (iii) MTU with morpholine (1:1), (iv) 1,1-DMTU with 1,4-dioxane (2:1) and (v) 1,3-DMTU with 1,4-dioxane (2:1). Finally, (vi) the authors determined the structure of tetramethylthiourea (TetMTU). (i) In both independent mols. of MTU, the Me group is trans to the C=S group across the C-N bond. The two mols. are connected to form an R22(8) dimer by mutual N-H¡¤¡¤¡¤S=C interactions. The packing involves six N-H¡¤¡¤¡¤S=C interactions and is three-dimensional. (ii) The packing of the MTU-morpholine adduct is a layer structure, within which both mols. form linear aggregates parallel to the b axis. (iii) The packing of 1,1-DMTU involves N-H¡¤¡¤¡¤S=C H bonds forming a corrugated layer structure. (iv) In the 2:1 adduct between 1,1-DMTU and 1,4-dioxane, the DMTU mol. occupies a general position whereas the dioxane mol. lies across an inversion center. The crystal packing involves chains of alternating 1,1-DMTU R22(8) dimers and dioxanes, both across inversion centers. (v) In the 2:1 adduct between 1,3-DMTU and dioxane, the 1,3-DMTU mol. occupies a general position, while the dioxane mol. lies across an inversion center. One Me group of the DMTU is trans and one cis to the S across the corresponding C-N bond. The mols. form chains of alternating 1,3-DMTU R22(8) dimers and dioxanes, both across inversion centers. Crystals of the 2:1 adduct between 1,3-DMTU and morpholine were also obtained, and were isotypic with the dioxane adduct. The morpholine mol. is disordered across the inversion center. (vi) The mol. of TetMTU displays crystallog. 2-fold symmetry. Significant distortions reflect the steric pressure between Me groups trans to S. The packing of TetMTU involves only a weak H bond, C-Hmethyl¡¤¡¤¡¤S, which connects the mols. to form layers. Crystallog. data are given.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials published new progress about 6972-05-0. 6972-05-0 belongs to catalysis-chemistry, auxiliary class Thiourea,Amine,Aliphatic hydrocarbon chain,Amide, name is 1,1-Dimethylthiourea, and the molecular formula is C3H8N2S, Recommanded Product: 1,1-Dimethylthiourea.
Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia