Crystal structure and Hirshfeld surface analysis of 2-amino-3-hy-droxy-pyridin-1-ium 6-methyl-2,2,4-trioxo-2,4-1,2,3-oxa-thia-zin-3-ide.

The asymmetric unit of the title compound, CHNO·CHNOS, contains one cation and one anion. The 6-methyl-2,2,4-trioxo-2,4-1,2,3-oxa-thia-zin-3-ide anion adopts an envelope conformation with the S atom as the flap. In the crystal, the anions and cations are held together by N-H⋯O, N-H⋯N, O-H⋯O and C-H⋯O hydrogen bonds, thus forming a three-dimensional structure.

trans-Bis(ethyl-enediamine-κN,N')bis-(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2λ,3-oxathia-zin-3-ido-κN)copper(II).

In the crystal structure of the title compound, [Cu(C(4)H(4)NO(4)S)(2)(C(2)H(8)N(2))(2)], the Cu(2+) ion resides on a centre of symmetry. The environment of Cu(2+) ion is a distorted octa-hedron. The axial bond lengths between the Cu(II) ion and the N atoms are considerably longer than the equatorial bond distances between the Cu(II) ion and the N atoms of the ethyl-enediamine ligand as a consequence of the Jahn-Teller effect.

Structural properties of trans-cyclohexane-1,2-diamine complexes of copper(II) and zinc(II) acesulfamates.

The title compounds, trans-bis(trans-cyclohexane-1,2-diamine)bis(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ido)copper(II), [Cu(C(4)H(4)NO(4)S)(2)(C(6)H(14)N(2))(2)], (I), and trans-diaquabis(cyclohexane-1,2-diamine)zinc(II) 6-methyl-2,2,4-trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ide dihydrate, [Zn(C(6)H(14)N(2))(2)(H(2)O)(2)](C(4)H(4)NO(4)S)(2)·2H(2)O, (II), are two-dimensional hydrogen-bonded supramolecular complexes. In (I), the Cu(II) ion resides on a centre of symmetry in a neutral complex, in a tetragonally distorted octahedral coordination environment comprising four amine N atoms from cyclohexane-1,2-diamine ligands and two N atoms of two acesulfamate ligands. Intermolecular N-H.

Di-mu-acesulfamato-kappa3N,O:O;kappa3O:N,O-bis[(acesulfamato-kappa2N,O)bis(3-methylpyridine)cadmium(II)].

In the structure of the title compound, [Cd(2)(C(4)H(4)NO(4)S)(2)(C(6)H(7)N)(2)], the dinuclear Cd(II) complex is located on a twofold axis with two Cd(2+) ions bridged by two oxide O atoms. Each Cd(2+) ion is additionally coordinated in an equatorial plane by two N and three O atoms of the acesulfamate ligands and axially by two N atoms of the 3-methylpyridine ligands, resulting in a distorted pentagonal bipyramidal coordination. We present here an example of a supramolecular assembly based on hydrogen bonds in a mixed-ligand metal complex; intermolecular C-H.

Bis(acesulfamato-kappaO4)diaquabis(3-methylpyridine-kappaN)nickel(II).

In the crystal structure of the title compound [systematic name: diaquabis(6-methyl-2,2-dioxo-1,2,3-oxathiazin-4-olato-kappaO4)bis(3-methylpyridine-kappaN)nickel(II)], [Ni(C4H4NO4S)2(C6H7N)2(H2O)2], the Ni(II) centre resides on a centre of symmetry and has a distorted octahedral geometry. The basal plane is formed by two carbonyl O atoms of two monodentate trans-oriented acesulfamate ligands and two trans aqua ligands. The axial positions in the octahedron are occupied by two N atoms of two trans pyridine ligands.

Bis(acesulfamato-kappa2O4,N)bis(3-methylpyridine)copper(II).

In the crystal structure of the title compound {systematic name: bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-kappa2N3,O4]bis(3-methylpyridine)copper(II)}, [Cu(C4H4NO4S)2(C6H7N)2], the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four-membered chelate rings and because of the Jahn-Teller effect. The equatorial plane is formed by the N atoms of two methylpyridine ligands and by the more basic O atoms of the acesulfamate ligands, while the weakly basic N atoms of these ligands are in elongated axial positions with a misdirected valence. The crystal is stabilized by two intermolecular C-H.

Bis(acesulfamato-kappa2N3,O4)bis(2-aminopyrimidine-kappaN1)copper(II).

In the crystal structure of the title compound, bis(2-aminopyrimidine-kappaN1)bis[6-methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide(1-)-kappa2N3,O4]copper(II), [Cu(C4H4NO4S)2(C4H5N3)2], the first mixed-ligand complex of acesulfame, the CuII centre resides on a centre of symmetry and has an octahedral geometry that is distorted both by the presence of four-membered chelate rings and by the Jahn-Teller effect. The equatorial plane is formed by the N atoms of two aminopyrimidine (ampym) ligands and by the weakly basic carbonyl O atoms of the acesulfamate ligands, while the more basic deprotonated N atoms of these ligands are in the elongated axial positions with a strong misdirected valence. The crystal is stabilized by pyrimidine ring stacking and by intermolecular hydrogen bonding involving the NH2 moiety of the ampym ligand and the carbonyl O atom of the acesulfamate moiety.

Bis(acesulfamato)tetraaquacobalt(II).

The crystal structure of the first acesulfame-metal complex, namely tetraaquabis[6-methyl-1,2,3-oxathiazin-4(3H)-onato 2,2-dioxide-kappaN]cobalt(II), [Co(C4H4NO4S)2(H2O)4], is reported. The Co(II) ion resides on a twofold axis and is coordinated by four aqua ligands defining the basal plane and by two monodentate acesulfamate ligands, via their ring N atoms, in the axial positions. Two intra- and three intermolecular hydrogen-bonding interactions stabilize the crystal structure and form an infinite three-dimensional lattice.

Diaquabis(pyridine-2-carboxamide-kappa2N1,O2)nickel(II) disaccharinate tetrahydrate.

In the crystal structure of the title compound, [Ni(C6H6N2O)2(H2O)2](C7H4NO3S)2.4H2O or [Ni(pia)2(H2O)2](sac)2.4H2O (pia is picolinamide or pyridine-2-carboxamide, and sac is the saccharinate anion), the Ni2+ cation, located on a centre of symmetry, is coordinated by two symmetry-related aqua ligands together with a pair of symmetry-related bidentate pia molecules and exhibits a distorted octahedral environment.

Dinicotinamidium squarate.

The crystal structure determination of the dinicotinamidium squarate salt, 2C(6)H(7)N(2)O(+).C(4)O(4)(2-), is reported, with the squarate dianion residing on an inversion centre and the unique cation in a general position. Salt formation occurs by donation of two H atoms from squaric acid to the nicotinamide base.