Bis[2-(morpholinometh­yl)phen­yl]phenyl­phosphane

The title compound, C28H33N2O2P, contains a penta­coordinated P atom as a result of the weak N→P intra­molecular inter­actions, with three C atoms, two N atoms and the lone pair arranged in a dicapped pseudo-tetra­hedral geometry. The morpholine rings exhibit an almost ideal chair conformation. In the crystal, two weak C—H⋯O hydrogen-bond inter­actions link the mol­ecules in layers stacked along the a axis; there are no further inter­actions between the layers

A new ortho­rhom­bic polymorph of 1,1′-seleno­bis­(N,N-diethyl­sulfanecarbothio­amide)

The title compound [systematic name: N,N-dieth­yl({[(diethyl­carbamothio­yl)sulfan­yl]selan­yl}sulfan­yl)carbothio­amide], C10H20N2S4Se, crystallizes in a new form in the space group Pca21: the previously reported polymorph crystallizes in the space group P212121. The new phase contains two independent mol­ecules in the asymmetric unit. The Se atoms are tetra­coordinated, with a distorted square-planar geometry. The ligands coordinate asymmetrically to the Se atoms, with one strong Se—S bond [range 2.2833 (13)–2.3041 (15) Å] and one weaker bond [range 2.7318 (14)–2.7873 (12) Å]

Substitutional disorder in a hypervalent diorganotin(IV) dihalide

The structure of bromidochloridobis[2-(dimethyl­amino­meth­yl)phen­yl]tin(IV), [SnBr0.65Cl1.35(C9H12N)2], contains two 2-(Me2NCH2)C6H4 units bonded to a Sn atom which lies on a twofold axis. The compound exhibits substitutional disorder of the halide atoms bonded to the Sn, with 1.35 occupancy for Cl and 0.65 for Br; it is isomorphous with the corresponding dichloride. The Sn atom is hexa­coordinated with a (C,N)2SnX 2 (X = Cl/Br) distorted octa­hedral core as a result of the strong intra­molecular N→Sn coordination trans to the Sn—X bonds (N1—Sn1—X1 = 165.8°). As a result of the inter­molecular contacts, viz. H⋯X and H⋯benzene inter­actions, the mol­ecules are arranged in a three-dimensional supra­molecular manner in the crystal structure

Hydrogen bonding in substitutionally disordered di-μ-hydroxido-bis­{aqua­tri[bromido/chlorido(1/2)]tin(IV)} acetone disolvate

The structure of the title compound, [Sn2Br1.97Cl4.03(OH)2(H2O)2]·2C3H6O, contains two hexa­coordinated Sn atoms bridged symmetrically by two hydroxide groups, with an inversion center in the middle of the planar Sn2O2 ring, half of the mol­ecule being generated by inversion symmetry. The other sites of the distorted octa­hedral coordination geometry are occupied by halide atoms and water mol­ecules. The structure exhibits substitutional disorder of the halide atoms bonded to the Sn atom, with 0.672 (4) occupancy for Cl and 0.328 (4) for Br for each halide position. The compound crystallizes with two acetone mol­ecules, which are involved in intra- and inter­molecular O—H⋯O contacts. The water mol­ecules coordinated to the Sn atoms are also involved in O—H⋯O and O—H⋯X contacts, leading to a polymeric array along the a axis

Di-μ-chlorido-bis­{[2-(morpholinometh­yl)phenyl-κ2 C 1,N]palladium(II)}

The title compound, [Pd2(C11H14NO)2Cl2], has a dimeric structure with Cl atoms bridging the two Pd atoms, one half of the mol­ecule being generated by symmetry due to the crystallographic inversion centre located in the middle of the perfectly planar Pd2Cl2 ring. The five-membered ring adopts an envelope conformation, while the morpholino group has a chair conformation. The geometry around the metal centres is distorted square-planar, as a result of a strong intra­molecular N→Pd coordination trans to a Pd—Cl bond. In the crystal structure, the dimeric structure is strengthened by inter­molecular C—H⋯Cl hydrogen bonds. C—H⋯Cphen­yl inter­actions link the dimers into a columnar supra­molecular array along the a axis; the dimers are further connected by C—H⋯Ph inter­actions into a three-dimensional supra­molecular arrangement

N,N-Bis(2-bromo­ethyl)aniline

The mol­ecule of the title compound, C10H13Br2N, has a twofold rotation axis along the N—Cphen­yl bond. The compound shows a slightly distorted trigonal planar geometry around the N atom. The structural study shows the presence of inter­molecular C—H⋯Br inter­actions, resulting in a three-dimensional supra­molecular architecture

[2,6-Bis(dimethyl­amino­meth­yl)phen­yl]selenium bromide monohydrate

In the title hydrated molecular salt, C12H19N2Se+·Br−·H2O, the two independent bromide anions lie on a twofold rotation axis. Strong intra­molecular N→Se inter­actions [2.185 (3) and 2.181 (3) Å] are established by both N atoms of the organic group in the cation, in trans positions to each other, with an N—Se—N angle of 161.6 (1)°, resulting in a T-shaped (C,N,N′)Se core. In the crystal, dimeric associations are formed by Br⋯Se [3.662 (2) Å] and Br⋯H inter­actions [2.56 (6) and 2.63 (7) Å] involving two bromide anions, two cations and two water mol­ecules

Fluorescent Orthopalladated Complexes of 4-Aryliden-5(4H)-oxazolones from the Kaede Protein: Synthesis and Characterization

The goal of the work reported here was to amplify the fluorescent properties of 4-aryliden-5(4H)-oxazolones by suppression of the hula-twist non-radiative deactivation pathway. This aim was achieved by simultaneous bonding of a Pd center to the N atom of the heterocycle and the ortho carbon of the arylidene ring. Two different 4-((Z)-arylidene)-2-((E)-styryl)-5(4H)-oxazolones, the structures of which are closely related to the chromophore of the Kaede protein and substituted at the 2- and 4-positions of the arylidene ring (1a OMe; 1b F), were used as starting materials. Oxazolones 1a and 1b were reacted with Pd(OAc)2 to give the corresponding dinuclear orthometalated palladium derivates 2a and 2b by regioselective C-H activation of the ortho-position of the arylidene ring. Reaction of 2a (2b) with LiCl promoted the metathesis of the bridging carboxylate by chloride ligands to afford dinuclear 3a (3b). Mononuclear complexes containing the orthopalladated oxazolone and a variety of ancillary ligands (acetylacetonate (4a, 4b), hydroxyquinolinate (5a), aminoquinoline (6a), bipyridine (7a), phenanthroline (8a)) were prepared from 3a or 3b through metathesis of anionic ligands or substitution of neutral weakly bonded ligands. All species were fully characterized and the X-ray determination of the molecular structure of 7a was carried out. This structure has strongly distorted ligands due to intramolecular interactions. Fluorescence measurements showed an increase in the quantum yield (QY) by up to one order of magnitude on comparing the free oxazolone (QY < 1%) with the palladated oxazolone (QY = 12% for 6a). This fact shows that the coordination of the oxazolone to the palladium efficiently suppresses the hula-twist deactivation pathway

4-Benzyl­piperazin-1-ium chloride chloro­form solvate

The ions of the title chloro­form-solvated salt, C11H17N2 +·Cl−·CHCl3, are linked by a strong N—H⋯Cl hydrogen bond; the solvent mol­ecule also inter­acts with the chloride ion through a C—H⋯Cl hydrogen bond. Additionally, neighboring cations form weak hydrogen bonds to the anion, resulting in a supra­molecular ribbon that runs along the a axis

Functionalization and Coordination Effects on the Structural Chemistry of Pendant Arm Derivatives of 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3)

The effect of different pendant arms on the structural chemistry of the 1,4,7-trithia-10-aza-cyclododecane ([12]aneNS3) macrocycle is discussed in relation to the coordination chemistry of all known functionalized derivatives of [12]aneNS3, which have been structurally characterized