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2,4-Bis[bis(diisopropyl-amino)-phos-phanyl]-1,2,3,4-tetra-phospha-bicyclo[1.1.0]butane.

ABSTRACT: The title compound, C(24)H(56)N(4)P(6) or ((i)Pr(2)N)(2)P-P(4)-P(N(i)Pr(2))(2), adopts a butterfly structure, with planar environments for the N atoms and pyramidal environments for the P atoms. The structure studied has a 15% twin component that is related by a twofold rotation about [100].

SUBMITTER: Lapczuk-Krygier A

PROVIDER: S-EPMC2959955 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(μ-5-diisopropyl-amino-1,2,3,4-tetra-zolido-κN:N)bis-[(triisopropyl-phosphane)copper(I)].

Project description:In the binuclear centrosymmetric crystal structure of the title compound, [Cu(2)(C(7)H(14)N(5))(2)(C(9)H(21)P)(2)], all atoms except those of the isopropyl groups are approximately co-planar. The Cu(II) atom is in a distorted trigonal-planar CuN(2)P coordination. Bond angles around the amino N atom suggest sp(2) hybridization. Several intra-molecular C-H⋯N inter-actions are present involving tetra-zolate N atoms.

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Valence isomerization of 2-phospha-4-silabicyclo[1.1.0]butane: a high-level ab initio study.

Project description:The rearrangements for 2-phospha-4-silabicyclo[1.1.0]butane, analogous to the valence isomerization of the hydrocarbons bicyclobutane, 1,3-butadiene, and cyclobutene, were studied at the (U)QCISD(T)/6-311+G**//(U)QCISD/6-31G* level of theory. The monocyclic 1,2-dihydro-1,2-phosphasiletes are shown to be the thermodynamically preferred product, in contrast to the isomerization of the hydrocarbons, which favors the 1,3-butadiene structure. Furthermore, an unprecedented direct isomerization pathway to the 1,2-dihydro-1,2-phosphasiletes was identified. This pathway is competitive with the isomerization via the open-chain butadienes and becomes favorable when electron-donating substituents are present on silicon. Figure 2-Phospha-4-silabicyclo[1.1.0]butane can isomerize directly into the more stable P,Si-cyclobutene via an unprecedented [sigma2s+sigma2a] process, which becomes favorable over the isomerization via the P,Si-butadiene when electron-donating substituents are present on silicon.

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Butane-1,2,3,4-tetra-carboxylic acid dihydrate.

Project description:The asymmetric unit of the title compound, C(8)H(10)O(8)·2H(2)O, contains one half-mol-ecule of butane-1,2,3,4-tetra-carboxylic acid and a water mol-ecule, with the complete tetra-acid generated by crystallographic inversion symmetry. Inter-molecular O-H⋯O hydrogen bonds form an extensive three-dimensional network, which consolidates the crystal packing.

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(?-Butane-1,2,3,4-tetra-carboxyl-ato)bis-[triaqua-(1,10-phenanthroline)nickel(II)] hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(2)(C(8)H(6)O(8))(C(12)H(8)N(2))(2)(H(2)O)(6)]·6H(2)O, contains a half of the centrosymmetric dinuclear complex mol-ecule and three uncoordinated water mol-ecules. In the dinuclear mol-ecule, two Ni(II) cations are bridged by the butane-1,2,3,4-tetra-carboxyl-ate (BTC(4-)) anion. Each Ni(II) atom is coordinated by two N atoms from the 1,10-phenanthroline ligand, one O atom from the BTC(4-) anion and three aqua ligands in a distorted octa-hedral geometry. Inter-molecuar O-H?O hydrogen bonds and ?-? stacking inter-ations [centroid-centroid distances = 3.646?(2), 3.781?(2) and 3.642?(2)?Å] consolidate the crystal packing.

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Poly[tetra-aqua-(?(8)-butane-1,2,3,4-tetra-carboxyl-ato)distrontium].

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Poly[diammonium [(?(4)-butane-1,2,3,4-tetra-carboxyl-ato)zincate] tetra-hydrate].

Project description:In the title compound, {(NH(4))(2)[Zn(C(8)H(6)O(8))]·4H(2)O}(n), the asymmetric unit contains one ammonium cation, half of a butane-1,2,3,4-tetra-carboxyl-ate anion, one Zn(2+) cation and two water mol-ecules. The butane-1,2,3,4-tetra-carboxyl-ate ligand is located about an inversion centre at the mid-point of the central C-C bond. The Zn(2+) cation is situated on a twofold rotation axis and is surrounded by four O atoms from four symmetry-related butane-1,2,3,4-tetra-carboxyl-ate anions in a distorted tetra-hedral environment. In turn, each anion coordinates to four Zn(2+) cations. The bridging mode of the anions leads to a three-dimensional framework structure with channels extending along [110] and [010] in which the ammonium cations and the water mol-ecules are located. N-H?O and O-H?O hydrogen bonding between the cations and water mol-ecules and the uncoordinating O atoms of the carboxyl-ate groups consolidates the crystal packing.

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Bis(diisopropyl-ammonium) tetra-chloridocuprate(II).

Project description:In the title mol-ecular salt, (C(6)H(16)N)(2)[CuCl(4)], the Cu(II) ion adopts an extremely distorted tetra-hedral coordination geometry. All the ammonium H atoms are involved in N-H?Cl hydrogen bonds, which serve to link the cations and anions into chains propagating along the c-axis direction.

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2,4-Bis(diphenyl-phosphan-yl)-1,1,2,3,3,4-hexa-phenyl-1,3-diphospha-2,4-dibora-cyclo-butane tetra-hydro-furan sesqui-solvate.

Project description:In the title compound, C(60)H(50)B(2)P(4)·1.5C(4)H(8)O, the diphospha-diborane mol-ecule lies on an inversion centre, whereas the disordered tetra-hydro-furan solvent mol-ecule is in a general position with a partial occupancy of 0.75. The diphosphadiborane mol-ecule consists of an ideal planar four-membered B(2)P(2) ring with an additional phenyl and a -PPh(2) group attached to each B atom.

| S-EPMC3344071 | biostudies-literature

1,3-Dibenzyl-1,2,3,4-tetra-hydro-quinazoline-2,4-dione.

Project description:The asymmetric unit of the title compound, C(22)H(18)N(2)O(2), contains two independent mol-ecules, which differ in the orientations of the benzyl groups with respect to the planar (r.m.s. deviations of 0.031 and 0.020 Å) quinazoline-2,4-dione skeletons [dihedral angles of 73.97 (4) and 70.07 (4)° in the first mol-ecule and 75.63 (4) and 63.52 (3)° in the second]. The crystal structure is stabilized by weak inter-molecular C-H⋯O and C-H⋯π interactions and aromatic π-π stacking inter-actions [centroid-centroid distance = 3.735 (2) Å].

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N,N'-Bis[3,5-bis-(2,6-diisopropyl-phen-yl)phen-yl]butane-2,3-diimine.

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| S-EPMC3200583 | biostudies-literature

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