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Bis[2-amino-6-methyl-pyrimidin-4(1H)-one-?N,O]dichloridocadmium(II).

ABSTRACT: In the title compound, [CdCl(2)(C(5)H(7)N(3)O)(2)], the Cd(II) atom is six-coordinated by two heterocyclic N atoms [Cd-N = 2.261?(2) and 2.286?(2)?Å] and two O atoms [Cd-O = 2.624?(2) and 2.692?(2)?Å] from two bidentate chelate 2-amino-6-methyl-pyrimidin-4(1H)-one ligands and two chloride ions [Cd-Cl = 2.4674?(6) and 2.4893?(7)?Å]. The crystal packing is characterized by an open-framework architecture with the crystal packing stabilized by inter-molecular N-H?Cl and N-H?O hydrogen bonds.

SUBMITTER: Kaabi K

PROVIDER: S-EPMC2983177 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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Bis[2-amino-6-methyl-pyrimidin-4(1H)-one-κN,O]dichloridocadmium(II).

Kaabi Kamel K El Glaoui Meher M Pereira Silva P S PS Ramos Silva M M Ben Nasr Cherif C

Acta crystallographica. Section E, Structure reports online 20100908 Pt 10

In the title compound, [CdCl(2)(C(5)H(7)N(3)O)(2)], the Cd(II) atom is six-coordinated by two heterocyclic N atoms [Cd-N = 2.261 (2) and 2.286 (2) Å] and two O atoms [Cd-O = 2.624 (2) and 2.692 (2) Å] from two bidentate chelate 2-amino-6-methyl-pyrimidin-4(1H)-one ligands and two chloride ions [Cd-Cl = 2.4674 (6) and 2.4893 (7) Å]. The crystal packing is characterized by an open-framework architecture with the crystal packing stabilized by inter-molecular N-H⋯Cl and N-H⋯O hydrogen bonds. ...[more]

PMID: 21587381

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Metal-nucleobase inter-action: bis[4-amino-pyrimidin-2(1H)-one-κN]dibromidozinc(II).

Project description:In the title complex, [ZnBr(2)(C(4)H(5)N(3)O)(2)], the central metal ion is coordinated to two bromide ions and endocyclic N atoms of the two cytosine mol-ecules leading to a distorted tetra-hedral geometry. The structure is isotypic with [CdBr(2)(C(4)H(5)N(3)O)(2)] [Muthiah et al. (2001). Acta Cryst. E57, m558-m560]. There are two inter-ligand N-H⋯Br hydrogen bonds, generating two hydrogen-bonded rings stabilizing the coordination sphere. The complex aggregates, forming supra-molecular chains, sheets and staircases through N-H⋯O and N-H⋯Br hydrogen bonding and π-π stacking inter-actions [centroid-centroid distance = 3.616 (2) Å].

| S-EPMC3011690 | biostudies-literature

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Project description:In the title compound, [CuCl(2)(C(4)H(4)N(2)O)(H(2)O)], the Cu(II) cation is coordinated by two chloride anions, one pyrimidin-2-one N atom and one water mol-ecule, giving a slightly distorted square-planar geometry. In the crystal structure, the pyrimidin-2-one rings stack along the b axis, with an inter-planar distance of 3.306 Å, as do the copper coordination planes (inter-planar spacing = 2.998 Å). The coordination around the Jahn-Teller-distorted Cu(II) ion is completed by long Cu⋯O [3.014 (5) Å] and Cu⋯Cl [3.0194 (15) Å] inter-actions with adjacent mol-ecules involved in this stacking. Several N-H⋯Cl, O-H⋯Cl and O-H⋯O inter-molecular hydrogen bonds form a polar three-dimensional network.

| S-EPMC2961748 | biostudies-literature

Bis(2-amino-4-methyl-1,3-thia-zole-?N)dichloridocadmium(II).

Project description:In the title compound, [CdCl(2)(C(4)H(6)N(2)S)(2)], the Cd(II) atom is coordinated by two chlorido ligands and two N atoms of the 2-amino-5-methyl-1,3-thia-zole (amtz) ligands in a slightly distorted tetra-hedral coordination geometry. Intra- and inter-molecular N-H?Cl hydrogen bonding stabilizes the crystal structure. A weak S?Cl inter-action [3.533?(2)?Å] is observed between neighboring mol-ecules.

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2-Oxo-1,2-dihydro-pyrimidin-3-ium di-μ-chlorido-bis-{dichloridobis[pyrimidin-2(1H)-one-κN]cuprate(II)} dihydrate.

Project description:The asymmetric unit of the title compound, (C(4)H(5)N(2)O)(2)[Cu(2)Cl(6)(C(4)H(4)N(2)O)(2)]·2H(2)O, consists of one cation, one half of a centrosymmetric dianion and one water mol-ecule. The centrosymmetric dianion formed by dimerization in the crystal structure has neutral pyrimidin-2-one ligands coordinated to each copper(II) centre through Cu-N bonds. The Cu atoms each have a distorted trigonal bipyramidal geometry, with the N atom of the pyrimidin-2-one ligand in an axial position, and dimerize by sharing two equatorial Cl atoms. N-H⋯Cl, O-H⋯Cl and N-H⋯O hydrogen bonds connect the anions, cations and water mol-ecules, forming a three-dimensional network.

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| S-EPMC3099993 | biostudies-literature

Bis-(1H-benzimidazole-κN)bis(4-methyl-benzoato-κO,O')cobalt(II).

Project description:In the title mononuclear complex, [Co(C(8)H(7)O(2))(2)(C(7)H(6)N(2))(2)], the Co(II) atom is coordinated by four carboxylate O atoms from two 4-methyl-benzoate ligands and two N atoms from two benzimidazole ligands in an octa-hedral coordination geometry. The molecules are assembled via inter-molecular N-H⋯O hydrogen-bonding inter-actions into a three-dimensional network.

| S-EPMC2961044 | biostudies-literature

Bis(1H-benzimidazole-κN)bis-(4-methyl-benzoato-κO,O')copper(II).

Project description:In the title mononuclear complex, [Cu(C(8)H(7)O(2))(2)(C(7)H(6)N(2))(2)], the Cu(II) atom lies on an inversion centre and is coordinated by two O atoms of two monodentate 4-methyl-benzoate ligands and two N atoms of two benzimidazole ligands in a square-planar geometry. The mol-ecules are linked into chains running parallel to the b axis by inter-molecular N-H⋯O hydrogen bonds and by π-π stacking inter-actions [centroid-centroid distance = 3.669 (2) Å] involving centrosymmetrically related imidazole rings.

| S-EPMC2961541 | biostudies-literature

Bis[4-(methyl-amino)benzoato-κO]bis-(nicotinamide-κN)zinc(II).

Project description:The title zinc complex, [Zn(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)], is composed of two monodentate 4-(methyl-amino)benzoate and two monodentate nicotinamide ligands. The coordination around the Zn atom is distorted tetra-hedral. The dihedral angles between the two benzene rings and the two pyridine rings are 78.30 (6) and 68.86 (5)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into an infinite three-dimensional network.

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Bis(isonicotinamide-κN)bis-[4-(methyl-amino)benzoato]zinc(II) monohydrate.

Project description:In the title Zn(II) complex, [Zn(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)]·H(2)O, the Zn atom is coordinated by two 4-methyl-amino-benzoate (MAB) and two isonicotinamide (INA) ligands in a distorted trigonal-bipyramidal geometry; one of the MAB ions acts as a bidentate ligand while the other MAB and the two INA are monodentate ligands. The dihedral angles between the carboxyl groups and the adjacent benzene rings are 8.52 (22) and 5.10 (14)°. In the crystal, inter-molecular O-H⋯O and N-H⋯O hydrogen bonding links the mol-ecules into a supra-molecular structure. Weak inter-molecular C-H⋯O inter-actions are also present.

| S-EPMC2970957 | biostudies-literature

Chlorido-(2,2'-{[2-(1-methyl-1H-imidazol-2-yl-κN 3)imidazolidine-1,3-diyl-κN]bis-(methyl-ene)}bis-(1-methyl-1H-imidazole-κN 3))copper(II) perchlorate.

Project description:In the crystal structure of the title complex, [CuCl(C17H24N8)]ClO4, the copper(II) metal exhibits an N4Cl penta-coordinate environment in a distorted square-pyramidal geometry. Coordination to the metal centre occurs through the three 1-methyl-imidazole N atoms from the pendant groups, one amine N atom from the imidazolidine moiety and one chlorido anion. Inter-molecular inter-actions take place at two of the 1-methyl--imidazole rings in the form of parallel-displaced π-π stacking inter-actions forming chains parallel to the a axis. Three O atoms of the perchlorate anion are rotationally disordered between two orientations with occupancies of 0.5.

| S-EPMC6505613 | biostudies-literature

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