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1.
IUCrdata ; 9(Pt 5): x240463, 2024 May.
Article in English | MEDLINE | ID: mdl-38846552

ABSTRACT

In the title salt, (C8H20N)8[Mo10O34], the [Mo10O34]8- polyanion is located about an inversion centre and can be considered as a ß-type octa-molybdate anion to which two additional MoO4 tetra-hedra are linked via common corners. The [Mo10O34]8- polyanions are packed in rows extending parallel to [001] and are connected to the di-butyl-ammonium counter-cations through N-H⋯O hydrogen-bonding inter-actions.

2.
Acta Crystallogr E Crystallogr Commun ; 79(Pt 2): 99-102, 2023 Jan 01.
Article in English | MEDLINE | ID: mdl-36793403

ABSTRACT

The title SnIV complex, [Sn(C6H5)3Cl(C18H15O4P)], is a formal adduct between triphenyl phosphate (PhO)3P=O and the stannane derivative chlorido-tri-phenyl-tin, SnPh3Cl. The structure refinement reveals that this mol-ecule displays the largest Sn-O bond length for compounds including the X=O→SnPh3Cl fragment (X = P, S, C, or V), 2.6644 (17) Å. However, an AIM topology analysis based on the wavefunction calculated from the refined X-ray structure shows the presence of a bond critical point (3,-1), lying on the inter-basin surface separating the coordinated phosphate O atom and the Sn atom. This study thus shows that an actual polar covalent bond is formed between (PhO)3P=O and SnPh3Cl moieties.

3.
IUCrdata ; 6(Pt 9): x210982, 2021 Sep.
Article in English | MEDLINE | ID: mdl-36338947

ABSTRACT

The title compound, (NH4)4[W2(C10H12N2O8)O6]·4H2O, was obtained from a mixture of tungstic acid, ammonia and ethyl-enedi-amine-tetra-acetic acid (H4edta) in a 2:4:1 ratio. The anion of the complex contains two WO3 units and one bridging edta4- ligand. Each central metal atom is tridentately coordinated by nitro-gen and two carboxyl-ate groups of the edta4- ligand, together with the three oxido ligands, producing a distorted octa-hedral coordination environment around each tungsten atom. The center of the carbon-carbon bond of the ethyl-ene bridge represents a crystallographic inversion center. The crystal structure consists of a three-dimensional supra-molecular framework built up by the dinuclear cations, the ammonium counter-ions and the solvent water mol-ecules via hydrogen bonds of the N-H⋯O and O-H⋯O type.

4.
IUCrdata ; 5(Pt 5): x200659, 2020 May.
Article in English | MEDLINE | ID: mdl-36337150

ABSTRACT

In the title mol-ecular salt, NH2(C3H7)2 +·[NH2C6H4SO3]-, the cation displays an extended conformation. In the crystal, anion-to-anion N-H⋯O and N-H⋯(O,O) hydrogen bonds generate (101) layers. Cation-to-anion N-H⋯O hydrogen bonds connect the layers into a three-dimensional network.

5.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 6): 742-745, 2019 Jun 01.
Article in English | MEDLINE | ID: mdl-31391957

ABSTRACT

The organic-inorganic title salt, (C6H16N)2[Sn(C2O4)2Cl2] or ( i Pr2NH2)2[Sn(C2O4)2Cl2], was obtained by reacting bis-(diiso-propyl-ammonium) oxalate with tin(IV) chloride dihydrate in methanol. The SnIV atom is coordinated by two chelating oxalate ligands and two chloride ions in cis positions, giving rise to an [Sn(C2O4)2Cl2]2- anion (point group symmetry 2), with the SnIV atom in a slightly distorted octa-hedral coordination. The cohesion of the crystal structure is ensured by the formation of N-H⋯O hydrogen bonding between (iPr2NH2)+ cations and [SnCl2(C2O4)2]2- anions. This gives rise to an infinite chain structure extending parallel to [101]. The main inter-chain inter-actions are van der Waals forces. The electronic spectrum of the title compound displays only one high intensity band in the UV region assignable to ligand-metal ion charge-transfer (LMCT) transitions. An IR spectrum was also recorded and is discussed.

6.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 7): 1001-1004, 2019 Jul 01.
Article in English | MEDLINE | ID: mdl-31392013

ABSTRACT

The title compound, hexa-kis-(2-methyl-1H-imidazol-3-ium) hepta-molybdate 2-methyl-1H-imidazole disolvate dihydrate, (C4H7N2)6[Mo7O24]·2C4H6N2·2H2O, was prepared from 2-methyl-imidazole and ammonium hepta-molybdate tetra-hydrate in acid solution. The [Mo7O24]6- hepta-molybdate cluster anion is accompanied by six protonated (C4H7N2)+ 2-methyl-imidazolium cations, two neutral C4H6N2 2-methyl-imidazole mol-ecules and two water mol-ecules of crystallization. The cluster consists of seven distorted MoO6 octa-hedra sharing edges or vertices. In the crystal, the components are linked by N-H⋯N, N-H⋯O, O-H⋯O, N-H⋯(O,O) and O-H⋯(O,O) hydrogen bonds, generating a three-dimensional network. Weak C-H⋯O inter-actions consolidate the packing.

7.
Acta Crystallogr E Crystallogr Commun ; 74(Pt 11): 1682-1685, 2018 Nov 01.
Article in English | MEDLINE | ID: mdl-30443406

ABSTRACT

The organic-inorganic title salt, (C6H16N)2[MoO4] or ( i Pr2NH2)2[MoO4], was obtained by reacting MoO3 with diiso-propyl-amine in a 1:2 molar ratio in water. The molybdate anion is located on a twofold rotation axis and exhibits a slightly distorted tetra-hedral configuration. In the crystal structure, the diiso-propyl-ammmonium ( i Pr2NH2)+ cations and [MoO4]2- anions are linked to each other through N-H⋯O hydrogen bonds, generating rings with R 12 12(36) motifs that give rise to the formation of a three-dimensional network. The structure was refined taking into account inversion twinning (ratio of ca 4:1 between the two domains).

8.
Acta Crystallogr E Crystallogr Commun ; 74(Pt 4): 502-504, 2018 Apr 01.
Article in English | MEDLINE | ID: mdl-29765755

ABSTRACT

In the title compound, (iPr2NH2)2[SnI2(C2O4)2], which was prepared by reacting ( i Pr2NH2+)2·C2O42- with SnI4 in a 2:1 molar ratio in a mixed ethanol-aceto-nitrile solvent, the Sn atom is coordinated by two chelating oxalate ions and two iodide ions, with the latter in a cis configuration. In the crystal, the cations are linked to the anions by N-H⋯O and bifurcated N-H⋯(O,O) hydrogen bonds, generating [10-1] chains.

9.
Acta Crystallogr E Crystallogr Commun ; 72(Pt 12): 1830-1832, 2016 Dec 01.
Article in English | MEDLINE | ID: mdl-27980842

ABSTRACT

The title compound, C4H12N+·C6H6NO3S-·C6H7NO3S, consists of an ion pair and a zwitterionic neutral mol-ecule. The cation adopts an extended conformation [C-C-N-C torsion angles = 177.1 (3) and -178.4 (3)°]. In the crystal, the components are linked by N-H⋯O and N-H⋯N hydrogen bonds, generating a three-dimensional network, which is consolidated by weak C-H⋯O inter-actions.

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