Crystal structure of Al₄₅Cr₇C_0.32

It is shown that small amounts of carbon can be incorporated into the crystal structure of Al₄₅Cr₇, leading to the formula Al₄₅Cr₇C_0.32.

Tetra­phenyl­phospho­nium tetra­kis­(tri­methyl­silanolato)ferrate(III)

The title compound, [(C₆H₅)₄P][Fe(OSi(CH₃)₃)₄], is a salt containing a cation with a central phospho­rous atom bonded to four phenyl groups in a tetra­hedral arrangement, while the anion contains a central iron(III) atom tetra­hedrally coordinated by four tri­methyl­silanolate ligands.

Bis(4-amino­phenyl­hydroxamato-κ²O,O′)copper(II) methanol disolvate

The reported mononuclear complex has the Cu^II coordination centre coordinated by two 4-amino­phenyl­hydroxamate bidentate ligands in a distorted square-planar geometry. The asymmetric unit is completed by two methanol solvent mol­ecules, which are involved in hydrogen bonding with N—H functionalities of the free hydroxamate groups.

(Acetamide-κO){2,2′,2′′-boranetriyltris[6-tert-butyl-4-methyl­pyridazine-3(2H)-thione]-κ⁴B,S,S′,S′′}copper(I) tri­fluoro­methane­sulfonate chloro­form disolvate

The metal complex is composed of a copper centre trigonal–bipyramidally surrounded by the scorpionate ligand and an acetamide ligand with a hydrogen-bonded tri­fluoro­methane­sulfonate counter-ion.

Bis[μ-N,N′-(pyridine-2,6-di­yl)bis­(tri­methyl­silyl­amido)-1κ²N¹,N²;2:3κ²N⁶:N⁶]bis­(tetra­hydro­furan)-2:3κ²O-1-nickel(II)-2,3-lithium(I)

A nickel(II) cation and two lithium(I) cations are coordinated by two bridging N,N′-(pyridine-2,6-di­yl)bis­(tri­methyl­silyl­amide) ligands. The Li^I cations are solvated by tetra­hydro­furan. This complex is a unique example of a heteromultimetallic complex combining an alkali metal and a transition metal.

Bis(nitrilo­triacetamide-κ⁴N,O,O′,O′′)silver(I) nitrate

The silver(I) cation is eightfold coordinated by two symmetry-related tetra­dentate nitrilo­triacetamide ligands. The nitrate counter-anion is not involved in coordination.

catena-Poly[[tetra­kis­(μ-3,4,5-tri­meth­oxy­benzoato-κ²O:O′)diruthenium(II,III)(Ru—Ru)]-μ-chlorido] with an unknown solvent

Two ruthenium atoms are joined by four 3,4,5-tri­meth­oxy­benzoate ligands forming a paddlewheel structure. Axial chloride ions bridge the diruthenium units giving zigzag chains.

2,6-Di­bromo-4-chloro­phenyl isocyanide

Ribbons of centric CN⋯Br contacts between adjacent mol­ecules form nearly planar sheets that stack translationally. This motif is isomorphous with the corresponding nitrile and tri­bromo nitrile, but is polytypic with the corresponding tri­bromo isocyanide.

(E)-5-{4-[2-(5-Ethyl­pyridin-2-yl)eth­oxy]benzyl­idene}thia­zolidine-2,4-dione

The intra­molecular structure is stabilized by a weak C—H⋯S hydrogen bond, which generates a S(6) graph-set motif, and a weak C—H⋯O contact. In the crystal, N—H⋯N and C—H⋯O hydrogen bonds leads to infinite one-dimensional chains along (201) and generate an (7) ring-set motif.

(1E,4E)-1,5-Bis(2,6-di­chloro­phen­yl)penta-1,4-dien-3-one

The asymmetric unit consists of one independent mol­ecule and two mol­ecules each located on twofold symmetry axes through the central C=O bond such that they each contribute half a mol­ecule each to the asymmetric unit. In the crystal, mol­ecules are linked through C—H⋯O hydrogen bonds, generating undulated mol­ecular sheets lying parallel to (110).

1-Carb­oxy-2-hy­droxy­propan-1-aminium 4-methyl­benzene­sulfonate monohydrate

In the title hydrated salt, an intra­molecular C—H⋯O hydrogen bond in the anion generates an S(6) loop. In the crystal, the constituents are linked into supra­molecular layers via O—H⋯O and N—H⋯O hydrogen bonds.

3-Benzyl-5,5-di­phenyl­imidazolidine-2,4-dione

The two independent mol­ecules in the asymmetric unit differ in the orientation of the benzyl substituent and are associated through complementary C—H⋯π(ring) inter­actions. Two of these units are formed into a tetra­molecular unit by pairs of C—H⋯O hydrogen bonds and an offset π–π stacking inter­action. Inversion related N—H⋯O and C—H⋯O hydrogen bonds bind these units into corrugated sheets by paired N—H⋯O and C—H⋯O hydrogen bonds. Additional C—H⋯O hydrogen bonds bind the sheets together.

3-Bromo-6-nitro-1-(prop-2-en-1-yl)-1H-indazole

The asymmetric unit of the title compound contains two independent mol­ecules differing primarily in the orientations of the allyl substituents. The crystal packing involves slipped π–π stacking of indazole units, together with weak C—H⋯O and C—H⋯Br hydrogen bonds.

3-Benzoyl-4-methyl-2-oxo-2H-chromen-7-yl acetate

In the title compound, the dihedral angle between the coumarin ring system and the pendant benzoyl group is 81.91 (7)°. In the crystal, weak C—H⋯O inter­actions link the mol­ecules into a three-dimensional network.

Ethyl 1-phenyl-1,4-di­hydro­indeno­[1,2-c]pyrazole-3-carboxyl­ate

The non-H atoms of the title mol­ecule are almost coplanar (r.m.s. deviation = 0.019 Å), apart from the phenyl group, which is disordered with two components of almost equal occupancy: the dihedral angle between them is 78.9 (3)°. In the crystal, weak C—H⋯N hydrogen bonds link the mol­ecules into [001] chains and aromatic π–π stacking inter­actions form columns parallel to the c-axis direction.

(E)-3-(4-Fluoro­phen­yl)-1-[1-(4-fluoro­phen­yl)-5-methyl-1H-1,2,3-triazol-4-yl]prop-2-en-1-one

The asymmetric unit of the title compound comprises two mol­ecules with similar conformations. In the crystal, weak C—H⋯F inter­actions form chains of mol­ecules and the chains are stacked to form layers parallel to (101).

Ethyl (Z)-2-[2-(4-methylphenyl)hydrazin-1-yl­idene]-3-oxo-3-(thiazol-2-ylamino)propanoate

In the title compound, the dihedral angle between the aromatic rings is 15.90 (19)°. The mol­ecule features two intra­molecular N—H⋯O hydrogen bonds, which both close S(6) rings. In the crystal, weak C—H⋯O inter­actions link the mol­ecules into [010] chains.

2-Chloro-4-nitro­pyridine N-oxide

The crystal structure of 2-chloro-4-nitro­pyridine N-oxide is presented. The mol­ecular packing exhibits a herringbone pattern with the zigzag running along the b axis; here, there are no short contacts, hydrogen bonds, or π–π inter­actions.

3-Hexyl-5,5-di­phenyl­imidazolidine-2,4-dione

The two independent mol­ecules in the asymmetric unit differ in the orientations of the hexyl and phenyl substituents on the imidazolidine-2,4-dione ring. In the crystal, C—H⋯O hydrogen bonds between independent mol­ecules form chains along the a-axis direction, which are bound into ribbons by paired N—H⋯O hydrogen bonds. Additional C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions tie the ribbons into a three-dimensional structure.

3-Butyl-5,5-di­phenyl­imidazolidine-2,4-dione

In the crystal, pairwise N—H⋯O hydrogen bonds form centrosymmetric dimers which are connected into chains along the a-axis direction by pairwise C—H⋯N hydrogen bonds. The chains are formed into layers approximately parallel to [010] by C—H⋯O hydrogen bonds and the layers are connected along the b-axis direction by C—H⋯π(ring) inter­actions.

4-(4-Bromo­phen­yl)-2-(3-(4-chloro­phen­yl)-5-{3-[5-methyl-1-(4-methyl­phen­yl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-di­hydro-1H-pyrazol-1-yl)thia­zole

In the crystal, π–π and C—H⋯Br inter­actions link the mol­ecules to form extended columns parallel to [010].

3-[6-(4-Meth­oxy­phen­yl)-2-methyl­pyrimidin-4-yl]-2-(4-methyl­piperazin-1-yl)quinoline

In the title compound, the pyrimidine ring makes a dihedral angle of 1.5 (1)° with the meth­oxy­phenyl ring and 33.1 (1)° with the quinoline ring system. In the crystal, mol­ecules are consolidated in the crystal packing by weak C—H⋯π inter­actions and π–π stacking inter­actions.

S-[2-(2,2-Di­methyl­propanamido)-3-(tri­fluoro­meth­yl)phen­yl] N,N-diiso­propyl­dithio­carbamate

A weak intra­molecular N—H⋯S inter­action is observed in the title compound. In the crystal, inversion dimers linked by pairs of weak C—H⋯O inter­actions generate (20) loops and the aromatic rings of neighbouring pairs of mol­ecules are involved in very weak π–π stacking inter­actions.

1,1-Di­methyl-3-[4-(tri­fluoro­meth­yl)phen­yl]urea

In the title compound, the dihedral angle between the di­methyl­urea and phenyl group planes is 37.49 (7)°. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, generating chains propagating in the [010] direction.

1-(2-Bromo-4-methyl­phen­yl)-3,3-di­methyl­thio­urea

The structure of a di­methyl­thio­urea derivative is reported. In the crystal, mol­ecules are stacked along the b-axis and inter­molecular N—H⋯S contacts form chains of mol­ecules along [010].

Methyl N-(2-bromo-4-chloro­phen­yl)carbamate

In the title methyl­carbamate derivative, the bromo­chloro­phenyl ring is inclined to the methyl­carbamate unit by 32.73 (7)°is reported. In the crystal, N—H⋯O hydrogen bonds form chains of mol­ecules parallel to [100].

S-2-Amino­phenyl phenyl­carbamo­thio­ate

In the title compound, the dihedral angle between the aromatic rings is 83.5 (1)°. In the crystal, mol­ecules are linked by N—H⋯O and N—H⋯N hydrogen bonds, generating (001) sheets.

3,5-Di­bromo­benzo­nitrile

Head-to-tail C(7) chains form, derived from weak hydrogen bonding between the cyano N atom and the para H atom. No short contacts involving Br atoms are observed.

(E)-2-(3-Oxo-3-phenyl­prop-1-en­yl)thio­phene-3-carbaldehyde

The title compound crystallizes with two independent mol­ecules (A and B) in the asymmetric unit with very similar conformations. In the crystal, mol­ecules are linked via pairs of C—H⋯O hydrogen bonds, forming dimers with an (18)set-graph motif. The dimers are linked via C—H⋯O hydrogen bonds, forming slabs lying parallel to (100).

1-(2-Iso­propyl-4,7-di­methyl-3-nitro­naphthalen-1-yl)ethanone

The title compound is built up from two fused phenyl rings. The naphthalene ring system is approximately planar.

2-({6-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]imidazo[2,1-b]thia­zol-5-yl}methyl­idene)hydrazinecarbo­thio­amide di­methyl­formamide 0.25-solvate

The asymmetric unit of the title solvate comprises two C₁₇H₁₆N₈S₂ mol­ecules and a di­methyl­formamide mol­ecule disordered about a crystallographic inversion centre. Both triazole mol­ecules feature an intra­molecular C—H⋯N inter­action, which generates an S(6) ring in each case.

(E)-1-(4-Bromo­phen­yl)-3-[3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one

In the title compound, the dihedral angle between the heterocyclic rings is 10.2 (2)°. In the crystal, C—H⋯O inter­actions form chains along [010]. π–π inter­actions are observed between the phen­yl–pyrazolyl unit and the phenyl­ene group of a neighbouring mol­ecule.

3-Nitro­benzaldehyde

In polymorph I of the title compound, C₇H₅NO₃, the dihedral angle between the benzene ring and the nitro group is 10.41 (4)°.

The 2:1 charge-transfer complex of 4,6-di­methyl­dibenzo­thio­phene and 7,7,8,8-tetra­cyano-2,3,5,6-tetra­fluoro­quinodi­methane

In the crystal of the title compound, the 2:1 unit of electron donor and acceptor is formed through a charge-transfer inter­action. An F⋯F short contact is observed.

Dibenzo[2,3:6,7]thiepino[4,5-d][1,2,3]selenadiazole

The four independent tetra­cyclic mol­ecules in the title compound have very similar mol­ecular structures, each adopting a saddle shape.

7-Hy­droxy­hexa­cyclo­[7.5.1.0^1,7.0^6,13.0^8,12.0^10,14]penta­decan-15-one-11-spiro­cyclo­penta­ne

The strained cyclo­butane ring in a cage dione undergoes rapid reductive cleavage in the presence of metal and acid, affording the title cage compound, C₁₉H₂₄O₂, through an unusual rearrangement.

5-(2-Chloro­phen­yl)-3-(2H-chromen-3-yl)-1,2,4-oxa­diazole

The structure of 5-(2-chloro­phen­yl)-3-(2H-chromen-3-yl)-1,2,4-oxa­diazole is stabilized by C—H⋯O and C—H⋯Cl hydrogen bonds, together with offset π–π stacking inter­actions.

2-Benzyl-6-nitro-2H-indazole

In 2-benzyl-6-nitro-2H-indazole, the dihedral angle between the indazole ring system and pendant benzene ring is 65.87 (7)°.

9-(4-Formyl­phen­yl)-3,3,6,6-tetra­methyl-3,4,5,6,7,9-hexa­hydro-1H-xanthene-1,8(2H)-dione

In the title compound, the central 4H-pyran ring adopts a flattened boat conformation while both cyclo­hexenone rings adopt envelope conformations. The pyran ring and the substituent benzene ring make a dihedral angle of 86.45 (2)°.

N′-[(1E)-2,5-Di­meth­oxy­benzyl­idene]pyridine-2-carbohydrazide

In the solid, N—H⋯O and C—H⋯O hydrogen bonds form chains along the c axis that are connected into layers parallel to [100] by offset π–π stacking inter­actions between inversion-related benzene rings and by C—H⋯π(ring) inter­actions with the pyridyl rings. Pyridyl rings protruding from the surfaces of the layers partially inter­calate with those in adjacent layers.

α-D,L-Sorbose

The title compound is a racemic single crystal including two crystallographically independent sorbose mol­ecules in the symmetric unit.

(E)-2-Benzoyl-3-[1-phenyl-3-(thio­phen-2-yl)-1H-pyrazol-4-yl]acrylo­nitrile

The asymmetric unit is composed of two independent mol­ecules, which are related by a pseudo-inversion centre. One of the mol­ecules has a disordered thio­phenyl group.