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6-(2-Chloro-benzyl-amino)purinium tetra-chlorido(dimethyl sulfoxide-κO)(nitrosyl-κN)ruthenate(III) monohydrate.

Trávníček Z, Matiková-Maľarová M, Stěpánková K - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The cation is an N3-protonated N7 tautomer.Inter-molecular N-H⋯N hydrogen bonds connect two cations into centrosymmetric dimers, with an N⋯N distance of 2.821 (4) Å.The crystal structure also involves N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds.

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Affiliation: Department of Inorganic Chemistry, Faculty of Science, Palacký University, Křížkovského 10, CZ-771 47 Olomouc, Czech Republic.

ABSTRACT
The asymmetric unit of the title complex salt, (C(12)H(11)ClN(5))[RuCl(4)(NO)(C(2)H(6)OS)]·H(2)O, contains a 6-(2-chloro-benzyl-amino)purinium cation, a tetra-chlorido(dimethyl sulfoxide)nitro-sylruthenate(III) anion and one solvent water mol-ecule. The Ru(III) atom is octa-hedrally coordinated by four Cl atoms in the equatorial plane, and by a dimethyl sulfoxide O atom and a nitrosyl N atom in axial positions. The cation is an N3-protonated N7 tautomer. Inter-molecular N-H⋯N hydrogen bonds connect two cations into centrosymmetric dimers, with an N⋯N distance of 2.821 (4) Å. The crystal structure also involves N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds.

No MeSH data available.


Hydrogen bonding interactions of the type O—H···Cl, N—H···Cl, N–H···O and N—H···N (dashed lines) operating in the crystal structure of (I). Symmetry codes: (i) 1 - x, -y, 1 - z; (ii) 1.5 - x, 1 - y, 1/2 + z; (v) 1.5 - x, 1 - y, -1/2 + z; (vi) 1/2 + x, 1 + y, 0.5 - z; (vii) -1/2 + x, y, 0.5 - z; (viii) 2 - x, 1 - y, 1 - z.
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Fap2: Hydrogen bonding interactions of the type O—H···Cl, N—H···Cl, N–H···O and N—H···N (dashed lines) operating in the crystal structure of (I). Symmetry codes: (i) 1 - x, -y, 1 - z; (ii) 1.5 - x, 1 - y, 1/2 + z; (v) 1.5 - x, 1 - y, -1/2 + z; (vi) 1/2 + x, 1 + y, 0.5 - z; (vii) -1/2 + x, y, 0.5 - z; (viii) 2 - x, 1 - y, 1 - z.


6-(2-Chloro-benzyl-amino)purinium tetra-chlorido(dimethyl sulfoxide-κO)(nitrosyl-κN)ruthenate(III) monohydrate.

Trávníček Z, Matiková-Maľarová M, Stěpánková K - Acta Crystallogr Sect E Struct Rep Online (2008)

Hydrogen bonding interactions of the type O—H···Cl, N—H···Cl, N–H···O and N—H···N (dashed lines) operating in the crystal structure of (I). Symmetry codes: (i) 1 - x, -y, 1 - z; (ii) 1.5 - x, 1 - y, 1/2 + z; (v) 1.5 - x, 1 - y, -1/2 + z; (vi) 1/2 + x, 1 + y, 0.5 - z; (vii) -1/2 + x, y, 0.5 - z; (viii) 2 - x, 1 - y, 1 - z.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961006&req=5

Fap2: Hydrogen bonding interactions of the type O—H···Cl, N—H···Cl, N–H···O and N—H···N (dashed lines) operating in the crystal structure of (I). Symmetry codes: (i) 1 - x, -y, 1 - z; (ii) 1.5 - x, 1 - y, 1/2 + z; (v) 1.5 - x, 1 - y, -1/2 + z; (vi) 1/2 + x, 1 + y, 0.5 - z; (vii) -1/2 + x, y, 0.5 - z; (viii) 2 - x, 1 - y, 1 - z.
Bottom Line: The cation is an N3-protonated N7 tautomer.Inter-molecular N-H⋯N hydrogen bonds connect two cations into centrosymmetric dimers, with an N⋯N distance of 2.821 (4) Å.The crystal structure also involves N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Inorganic Chemistry, Faculty of Science, Palacký University, Křížkovského 10, CZ-771 47 Olomouc, Czech Republic.

ABSTRACT
The asymmetric unit of the title complex salt, (C(12)H(11)ClN(5))[RuCl(4)(NO)(C(2)H(6)OS)]·H(2)O, contains a 6-(2-chloro-benzyl-amino)purinium cation, a tetra-chlorido(dimethyl sulfoxide)nitro-sylruthenate(III) anion and one solvent water mol-ecule. The Ru(III) atom is octa-hedrally coordinated by four Cl atoms in the equatorial plane, and by a dimethyl sulfoxide O atom and a nitrosyl N atom in axial positions. The cation is an N3-protonated N7 tautomer. Inter-molecular N-H⋯N hydrogen bonds connect two cations into centrosymmetric dimers, with an N⋯N distance of 2.821 (4) Å. The crystal structure also involves N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds.

No MeSH data available.