Polymorphism in 2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4H-1,3-thiazin-3-ium chloride.
Details of the structures of two conformational polymorphs of the title compound, C(12)H(17)N(2)OS(+)·Cl(-), are reported. In form (I) (space group P-1), the two N-H groups of the cation are in a trans conformation, while in form (II) (space group P2(1)/c), they are in a cis arrangement. This results in different packing and hydrogen-bond arrangements in the two forms, both of which have extended chains lying along the a direction. In form (I), these chains are composed of centrosymmetric R(4)(2)(18) (N-H...Cl and O-H...Cl) hydrogen-bonded rings and R(2)(2)(18) (N-H...O) hydrogen-bonded rings. In form (II), the chains are formed by centrosymmetric R(4)(2)(18) (N-H...Cl and O-H...Cl) hydrogen-bonded rings and by R(4)(2)(12) (N-H...Cl) hydrogen-bonded rings.
Maxwell H. Gluck Equine Center, University of Kentucky, Lexington, KY 40546, USA.
Julio
J
Gutierrez
Rodney
R
Eisenberg
Gabrielle
G
Herrensmith
Thomas
T
Tobin
Tonglei
T
Li
Sihui
S
Long
D000814:Aniline Compounds / Q000737:chemistry*; D002412:Cations / Q000737:chemistry*; D003460:Crystallization; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D013843:Thiazines / Q000737:chemistry*
C555080:2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4H-1,3-thiazin-3-ium chloride; D000814:Aniline Compounds; D002412:Cations; D013843:Thiazines