0000000000077590

AUTHOR

Anke Spannenberg

1,1′-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)

The title compound, C18H36N2P2, crystallizes in the triclinic space groupP-1 with two independent molecules in the asymmetric unit. Both molecules adopt atransconfiguration of the tetramethylpiperidine units along the P=P axis. The crystal packing is stabilized only by van der Waals interactions.

research product

Crystal structure of 1-hy­droxy-2,2,6,6-tetra­methyl­piperidin-1-ium tri­fluoro­methane­sulfonate

In the cation of the title salt, C9H20NO+·CF3O3S−, the six-membered heterocyclic ring displays a chair conformation. In the crystal, centrosymmetric pairs of cations and anions are linked by N—H...O and O—H...O hydrogen bonds to form rings with aR44(14) graph-set motif.

research product

1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine

The title compound, C24H22N2OP2, is an asymmetrically substituted hydrazine derivative bearing a phosphoryl and a phosphanyl substituent. The PNNP backbone has a torsion angle of −131.01 (8)°. In the crystal, molecules form centrosymmetric dimers by intermolecular N—H...O hydrogen bonds, which are further linked into a three-dimensional network by weak C—H...O and C—H...π interactions.

research product

1,1-Bis(diphenylphosphoryl)hydrazine

The title compound, C24H22N2O2P2, contains a diphosphazane backbone, as well as a hydrazine entity. The P—N—P diphosphazane unit and the N-amine N atom are almost coplanar, and the O atoms of the Ph2P(O) units are oriented trans to each other with respect to the P...P axis. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of N—H...O hydrogen bonds, forming rings of graph-set motif R22(10).

research product

6,6′-[(3,3′-Di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepine) benzene monosolvate

The crystal structure of the benzene monosolvate of the well known organic diphosphite ligand BIPHEPHOS, C46H44O8P2·C6H6, is reported for the first time. Single crystals of BIPHEPHOS were obtained from a benzene solution after layering with n-heptane at room temperature. One specific property of this type of diphosphite structure is the twisting of the biphenyl units. In the crystal, C—H...π contacts and π–π stacking interactions [centroid-to-centroid distance = 3.8941 (15) Å] are observed.

research product

Crystal structure of tricarbon­yl(N-di­phenyl­phosphanyl-N,N′-diisopropyl-P-phenyl­phospho­nous di­amide-κ2 P,P′)cobalt(I) tetra­carbonyl­cobaltate(−I) toluene 0.25-solvate

The title compound {Co(CO)3[Ph2PN(i-Pr)P(Ph)N(H)i-Pr]}[Co(CO)4] is an ionic species consisting of a Co(CO)3[Ph2PN(i-Pr)P(Ph)N(H)i-Pr] cation and a [Co(CO)4] anion.

research product

{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)

In the structure of title borohydride pincer complex, [Co(BH4)(C16H37NP2)(CO)], the cobalt(I) metal exhibits a distorted square-pyramidal coordination geometry with the basal positions occupied by the P and N atoms of the tridentate ligand and by the C atom of the carbon monoxide ligand. In the crystal, molecules interact only by van der Waals forces.

research product

3-Bromopyridine-2-carbonitrile

The title compound, C6H3BrN2, also known as 3-bromopicolinonitrile, was synthesized by cyanation of 2,3-dibromopyridine. In the solid state, short intermolecular Br...N contacts are observed. Additionally, the crystal packing is consolidated by π–π stacking interactions with centroid–centroid distances of 3.7893 (9) Å.

research product

Tetracarbonyl[N-(diphenylphosphanyl-κP)-N,N′-diisopropyl-P-phenylphosphorus diamide-κP]molybdenum(0) with an unknown solvent

The title complex, [Mo(C24H30N2P2)(CO)4], contains a molybdenum centre bearing a P,P′-cis-chelating Ph2PN(iPr)P(Ph)NH(iPr) and four carbonyl ligands in a distorted octahedral coordination geometry. This results in a nearly planar four-membered metallacycle. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds to form layers parallel to the ac plane. For the final refinement, the contributions of disordered solvent molecules were removed from the diffraction data with SQUEEZE in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).

research product

Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate

The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connectedviathe C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through thecisandtransethoxycarbonyl groups, respectively. An intramolecular C—H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to thebaxis by C—H...O hydrogen bonds.

research product

1-(1-Benzyl-2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone

In the title compound, C21H21NO, the dihedral angles between the planes of the phenyl and pyrrole rings are 47.04 (5) and 79.27 (3)°. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of C—H...O hydrogen bonds, forming rings of graph-set motifR22(16).

research product

3-Ethylindan-1-one

The title compound, C11H12O, has been prepared as a side product in the attempted room-temperature synthesis of (E)-1-phenylpent-2-en-1-one. The molecular structure consists of an approximately planar indanone core (r.m.s. deviation = 0.042 Å) with the ethyl group protruding from this plane. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of C—H...O hydrogen bonds, forming rings ofR22(10) graph-set motif. The dimers are further connected by C—H...π interactions into chains running parallel to [-101].

research product

{2-[Bis(2,4-di-tert-butylphenoxy)phosphanyloxy-κP]-3,5-di-tert-butylphenyl-κC1}{3,3′-di-tert-butyl-5,5′-dimethoxy-2,2′-bis[(1,1,2,2-tetraphenylethane-1,2-dioxy)phosphanyloxy-κP]biphenyl}rhodium(I) toluene-d8 2.7-solvate

The molecule of the title compound, [Rh(C42H62O3P)(C74H68O4P2]·2.7C7D8, consists of two phospharhodacyclic substructures sharing the Rh atom, which are formed by coordination/ortho-metallation of a triaryl phosphite, and by the coordination of a rigid bisphosphite, respectively. The metal displays a tetrahedrally distorted square-planar coordination geometry. A tert-butyl group shows rotational disorder over two positions with refined site occupancy of 0.561 (3):0.439 (3). Two partial-occupancy toluene solvent molecules are disordered over two orientations with site occupancies of 0.5:0.3 and 0.5:0.4, respectively. Intramolecular C—H...O hydrogen bonds are observed. In the crystal, complex …

research product

Crystal structure of (E)-pent-2-enoic acid

The molecule of the title compound, C5H8O2, a low-melting α,β-unsaturated carboxylic acid, is essentially planar [maximum displacement = 0.0239 (13) Å]. In the crystal, molecules are linked into centrosymmetric dimersviapairs of O—H...O hydrogen bonds.

research product

5-Methylbenzo[d][2,1,3]selenadiazole

In the crystal of the title compound, C7H6N2Se, the molecules are arranged in rods along theb-axis direction and form dimeric units due to intermolecular Se...N contacts of 2.982 (2) Å. The molecules are further linked by weak π–π stacking interactions between the 2,1,3-selenadiazole and six-membered aromatic rings [centroid–centroid distance = 3.8509 (11) Å and ring slippage = 1.539 (3) Å].

research product

Crystal structure of (1S,2R,4S)-1-[(morpholin-4-yl)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol

Besides intra­molecular O—H⋯N hydrogen bonds, the crystal structure displays inter­molecular O—H⋯O and C—H⋯O hydrogen bonds linking the mol­ecules into undulating layers parallel to the (01) plane.

research product