Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethyl­idene]thio­semicabazidato-κS}bis­(triphenyl­phosphane-κP)silver(I)

The title compound, [Ag(C₉H₁₃N₅S)Cl(C₁₈H₁₅P)₂], crystallizes with four independent mol­ecules in the asymmetric unit, in each of which the Ag atom is in a distorted tetra­hedral coordination, defined by the chloride ligand, the S atom of the neutral ligand and two P atoms derived from the triphenyl phosphine ligands. The thio­semicarbazone acts as a monodentate ligand through its thione S atom. An intra­molecular N—H...Cl hydrogen bond occurs in two of the independent mol­ecules. In the crystal, the mol­ecules are assembled through N—H...Cl hydrogen bonds, forming chains along [101].

Iodido{4-phenyl-1-[1-(1,3-thia­zol-2-yl-κN)ethyl­idene]thio­semicarbazidato-κ²N′,S}{4-phenyl-1-[1-(1,3-thia­zol-2-yl)ethyl­idene]thio­semicarbazide-κS}cadmium(II)

In the title complex, [Cd(C₁₂H₁₁N₄S₂)I(C₁₂H₁₂N₄S₂)], the Cd^II ion is penta­coordinated by two thio­semicarbazone ligands (one neutral and the other anionic) and one iodide ion in a distorted square pyramidal (τ = 0.35) geometry. The central ion is coordinated by the thia­zole N atom, the thio­ureido N and the S atom of the deprotonated thio­semicarbazone ligand. The other ligand is linked with the central ion through the C=S group. The deprotonated ligand intra­molecularly hydrogen bonds to the thia­zole ring N atom, while the ligand forms an inter­molecular hydrogen bond to the thiol­ate S atom of the second ligand. The deprotonation of the tridentate ligand and its coordination to the Cd^II ion via the S atom strikingly affects the C—S bond lengths. The C—S bond lengths in the neutral and deprotonated ligands in the metal complex are 1.709 (3) and 1.748 (2) Å, respectively, whereas it is 1.671 (3) Å in the free ligand. In the metal complex, the Cd—S distances are 2.6449 (6) and 2.5510 (6) Å. The Cd—I bond length is 2.7860 (2) Å.

1-[3-(Naphthalen-1-yl)phen­yl]naphthal­ene

The title compound, C₂₆H₁₈, consists of a benzene ring with meta-substituted 1-naphthalene substituents, which are essentially planar (r.m.s. deviation = 0.039 and 0.027 Å). The conformation is mixed syn/anti, with equivalent torsion angles about the benzene-naphthalene bonds of 121.46 (11) and 51.58 (14)°.

2-[3-(Naphthalen-2-yl)phen­yl]naph­thal­ene

The title compound, C₂₆H₁₈, consists of a benzene ring with meta-substituted 2-naphthalene substituents, which are essentially planar [r.m.s. deviations = 0.022 (1) and 0.003 (1) Å]. The conformation is syn, with equivalent torsion angles about the benzene-naphthalene bonds of -36.04 (13) and +34.14 (13)°. The mol­ecule has quasi-C_s mol­ecular symmetry.

4-(1-Allyl-4,5-diphenyl-1H-imidazol-2-yl)-N,N-dimethyl­aniline

The title compound, C₂₆H₂₅N₃, crystallizes with four independent mol­ecules, 1–4, in the asymmetric unit of the triclinic unit cell. The allyl substituents on the imidazole rings adopt similar conformations in all four mol­ecules. The imadazole and the 4-and 5-substituted phenyl rings of two pairs of molecules in the asymmetric unit stack parallel to (110). In contrast, the dimethyl­aniline systems in these pairs of mol­ecules are almost normal to one another, with dihedral angles of 85.84 (10) and 85.65 (10)° between the benzene rings of the two dimethyl­aniline fragments of mol­ecules 1 and 2, and 3 and 4, respectively. The crystal structure features an extensive series of C—H...π inter­actions that link the mol­ecules into undulating rows along the c axis. The crystal studied was a pseudo-merohedral twin with twin law [-100, 0-10, 111] and the BASF parameter refined to 0.513 (3).

(Z)-1-(2-Hy­droxy­eth­yl)-4-(2-meth­oxy­benzyl­idene)-2-methyl-1H-imidazol-5(4H)-one

In the title compound, C₁₄H₁₆N₂O₃, an analog of the chromophore in green fluorescent protein, the meth­oxy­phenyl substituent and the imidazole N adopt a Z conformation with respect to the C=C bond. Aside from the hy­droxy­ethyl group, the mol­ecule is approximately planar, with the five- and six-membered ring planes forming a dihedral angle of 9.3 (1)°. An intra­molecular C—H...N contact occurs. In the crystal, O—H...N hydrogen bonds link the mol­ecules, forming chains along the b-axis direction. C—H...O hydrogen bonds are also observed.

Bis(1,2,3-benzotriazolium) sulfate dihydrate

In the asymmetric unit of the title hydrated salt, 2C₆H₆N₃⁺·SO₄²⁻·2H₂O, there are two independent sulfate ions, one lying on a twofold axis, and the other in a general position. There are three independent benzotriazolium cations and three independent water mol­ecules. The sulfate ion in a general position forms hydrogen-bonded chains of stoichiometry SO₄²⁻·3H₂O in the b-axis direction. The sulfate on the twofold axis is unhydrated and accepts hydrogen bonds from four surrounding benzotriazoles. The benzotriazolium cations form two types of stacks along b. One stack contains only one type of independent cation, related by inversion centers. The other stack contains two alternating independent cations and no symmetry. The two types of stacks have orientations which are rotated by about 79° in the ac plane. 12 symmetrically distinct hydrogen bonds of type N—H...O(sulfate), N—H...O(water), O—H...O(sulfate) and O—H...O(water), with donor–acceptor distances in the range 2.5490 (13)–2.7871 (12) Å, form a three-dimensional array.

Hexa-μ-acetato-1:2κ⁴O,O′;1:2κ²O:O;2:3κ⁴O,O′;2:3κ²O:O-bis­(4,4′-dimethyl-2,2′-bi­pyridine)-1κ²N,N′;3κ²N,N′-2-calcium-1,3-dizinc

In the centrosymmetric trinuclear Zn^II...Ca^II...Zn^II title complex, [CaZn₂(CH₃COO)₆(C₁₂H₁₂N₂)₂], the Ca^II ion lies on an inversion centre and is octa­hedrally coordinated by six acetate O atoms. The Zn^II ion is coordinated by two N atoms from a bidentate di­methyl­bipyridine ligand and three O atoms from acetate ligands bridging to the Ca^II ion, leading to a distorted square-pyramidal coordination sphere. The Zn...Ca distance is 3.4668 (5) Å.

Tris(4-formyl­phen­yl)phosphane oxide tetra­hydro­furan hemisolvate

The title compound, C₂₁H₁₅O₄P·0.5C₄H₈O, contains an ordered phosphane oxide in a general position and a tetra­hydro­furan solvent mol­ecule disordered about a twofold axis. All three aldehyde substituents are nearly coplanar with their attached benzene rings, with C—C—C—O torsion angles in the range 1.64 (17)–4.24 (19)°. All three have different conformations with respect to the P=O group, one syn, one anti, and one gauche. Two of the aldehyde substituents form inter­molecular C—H...O contacts.

1,1′,4,5-Tetra­hydro­tri­spiro­[1,3,2-di­aza­phosphole-2,2′-[1,3,5,2,4,6]tri­aza­triphosphinine-4′,6′′-dibenzo[d,f][1,3,2]dioxaphosphepine-6′,6′′′-dibenzo[d,f][1,3,2]dioxaphosphepine] acetone monosolvate

The title compound, C₂₆H₂₂N₅O₄P₃·C₃H₆O, has been achieved in a two-step synthesis that does not require chromatography. This mol­ecule contains a seven-membered spiro­cyclic ring at two P-atom positions and a five-membered ring containing new P—N bonds at the other P-atom position. Endocyclic torsion angles about the central biphenyl C—C bonds are −41.5 (3) and −44.4 (3)°, and P—N bonds of the central P₃N₃ ring are within the range 1.5665 (17)–1.6171 (17) Å, while the P—O distances are in the range 1.5940 (14)–1.6041 (14) Å. One N—H group makes an inter­molecular N—H...N hydrogen bond, forming centrosymmetric dimers, while the other N—H group makes an N—H...O hydrogen bond to the acetone solvent mol­ecule. The crystal was a two-component non-merohedral twin with ratio 0.811/0.189.