Crystal structure of 6,6,12,12-tetra­chloro­tri­cyclo­[8.2.0.0^4,7]do­decane-5,11-dione

The asymmetric unit contains two independent mol­ecules, each consisting of an eight-membered ring with two four-membered rings fused on either side.

The crystal structures of three 3-methyl-1H-1,2,4-triazole-5-thio­nes, including a second polymorph of 4-[(E)-(5-bromo-2-hy­droxy­benzyl­idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione and a redetermination of 4-amino-3-methyl-1H-1,2,4-triazole-5(4H)-thione

The non-H atoms in the mol­ecules of three closely-related 4-amino-3-methyl-1H-1,2,4-triazole-5-thio­nes are either exactly or very nearly co-planar, and the compounds exhibit hydrogen-bonded supra­molecular assembly in two, one or zero dimensions.

Crystal structure of 1,1′-{(pentane-1,5-di­yl)bis­[(aza­niumylyl­idene)methanylyl­idene]}bis­(naphthalen-2-olate)

The whole mol­ecule of the title Schiff base is generated by twofold rotational symmetry. It crystallizes as a bis-zwitterion, and there are two intra­molecular N—H⋯O hydrogen bonds present. In the crystal, mol­ecules are linked by pairs of C—H⋯O hydrogen bonds forming ribbons propagating along [001].

Crystal structure and absolute configuration of (3aS,4S,5R,7aR)-2,2,7-tri­methyl-3a,4,5,7a-tetra­hydro-1,3-benzodioxole-4,5-diol

The crystal structure of enanti­opure (3aS,4S,5R,7aR)-2,2,7-trimethyl-3a,4,5,7a- tetra­hydro-1,3-benzodioxole-4,5-diol shows that the absolute configuration determined from the synthesis pathway agrees with that determined by X-ray analysis.

Crystal structure of a mononuclear Ru^II complex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy–tpy)]⁺

In this first crystal structure of an Ru complex with 6′,6"-bis­(pyridin-2-yl)-2,2′:4′,4":2",2"'-quaterpyridine, a `half' of the ligand (one of the two terpyridyl units) is N^N^N mer-coordinated, whereas the other is free and adopts a trans,trans conformation about the inter­annular C—C bonds. The crystal packing features π–π stacking inter­actions between tpy–tpy ligands.

Crystal structure of poly[bis­(μ-2-amino-4,5-di­cyano­imidazolato-κ²N¹:N³)-trans-bis­(N,N′-di­methyl­formamide-κO)cadmium]

The title compound, [Cd(C₅H₂N₅)₂(C₃H₇NO)₂]_n, is a two-dimensional coordination polymer extending parallel to (100). Notably, both the primary amino group and the cyano groups are involved in hydrogen-bonding inter­actions with DMF ligands to direct the assembly and stabilize the crystal packing.

Crystal structure of bis­[(phenyl­methanamine-κN)(phthalocyaninato-κ⁴N)zinc] phenyl­methan­amine tris­olvate

A penta­coordinated Zn²⁺ ion is found in each independent complex mol­ecule of the title compound; the asymmetric unit is completed by three conformationally flexible non-coordinating benzyl­amine mol­ecules. Supra­molecular layers sustained by N—H⋯N and N—H⋯π inter­actions are found in the crystal packing; these are connected by π–π contacts.

Crystal structure of potassium sodium hepta­hydrogen hexa­molybdocobaltate(III) octa­hydrate: an extra-protonated B-series Anderson-type heteropolyoxidometalate

A novel hexa­molybdate(VI) polyanion protonated by an extra H atom is an unexpected polyanion species among the B-series Anderson-type polyoxometalates (POMs). The extra (seventh) H atom does not lie on a crystallographic centre of symmetry, but is located at the mid-point between two μ₂-O atoms of adjacent polyanions, and forms a very short hydrogen bond.

Crystal structures of three indole derivatives: 3-ethnyl-2-methyl-1-phenyl­sulfonyl-1H-indole, 4-phenyl­sulfonyl-3H,4H-cyclo­penta­[b]indol-1(2H)-one and 1-{2-[(E)-2-(5-chloro-2-nitro­phen­yl)ethen­yl]-1-phenyl­sulfonyl-1H-indol-3-yl}ethan-1-one chloro­form monosolvate

The title compounds, (I), (II) and (III), are indole derivatives. Compounds (I) and (II) present two independent moieties in the asymmetric unit, and their packing is led by C—H⋯O hydrogen bonds and C—H⋯π inter­actions. In compound (III), the C—H⋯O hydrogen bonds form (22) inversion dimers.

Crystal structure of 4-(3,4-di­cyano­phen­oxy)-N-[3-(di­methyl­amino)­prop­yl]benzamide mono­hydrate: a phen­oxy­phthalo­nitrile derivative

In the title compound, the planes of the phen­oxy and phthalo­nitrile rings are oriented at a dihedral angle of 60.39 (5)°. In the crystal, mol­ecules are linked by O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds, forming slabs parallel to (100). The slabs are linked by a pair of inversion-related C—H⋯N hydrogen bonds, forming a three-dimensional structure.

Crystal structure of 3,5-di­methyl­phenyl 2-nitro­benzene­sulfonate

In the title compound, there are inter­molecular S=O⋯N(nitro) inter­actions, with an O⋯N distance of 2.9840 (18) Å, between inversion-related mol­ecules. The aromatic rings attached to the SO₃ group are oriented in a gauche fashion around the ester S—O bond, with a C—S—O—C torsion angle of 84.68 (11)°.

Crystal structures of three N-aryl-2,2,2-tri­bromo­acetamides

Three N-(ar­yl)-2,2,2-tri­bromo­acetamides show different weak inter­actions in their crystal structures.

Crystal structure of cis-aqua­chlorido­(rac-5,5,7,12,12,14-hexa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ⁴N)chromium(III) tetra­chlorido­zincate trihydrate from synchrotron data

The Cr^III ion in the title cationic complex is coordinated by four N atoms from the macrocyclic ligand, one water mol­ecule and one chloride in a cis geometry, displaying a distorted octa­hedral environment. The crystal packing is stabilized by N—H⋯Cl, O—H⋯Cl and O—H⋯O hydrogen bonds.

Crystal structure of bis­[2-(1H-benzimidazol-2-yl)aniline]silver(I) nitrate

The geometry around silver(I) metal atom in the title complex is distorted square planar with two normal Ag—N bonds and two long Ag—N bonds.

Crystal structure of di­chlorido­bis­(N,N′-di­methyl­thio­urea-κS)mercury(II)

The title compound, [Hg(C₃H₈N₂S)₂Cl₂], is isotypic with its Zn and Cd analogues, having the transition metal in a distorted tetra­hedral Cl₂S₂ coordination environment.

Crystal structure of bis­(2-methyl-1H-imidazol-3-ium) tetra­chlorido­cobaltate(II)

The tetra­hedral tetra­chlorido­cobaltate(II) anion is linked to bis­(2-methyl-1H-imidazol-3-ium) cations through N—H⋯Cl hydrogen bonds, resulting in a layered arrangement parallel to (100).

Crystal structure of trans-bis­{4-bromo-N-[(pyridin-2-yl)­methyl­idene]aniline-κ²N,N′}di­chlorido­ruthenium(II)

The Ru^II atom in the title complex is surrounded by a distorted Cl₂N₄ coordination set. In the crystal structure, adjacent complex mol­ecules are connected through C—H⋯Cl hydrogen-bonding inter­actions into a layered arrangement parallel to (100). Additional C—H⋯Br hydrogen-bonding inter­actions along with π–π stacking inter­actions complete a three-dimensional supra­molecular network.

Crystal structure of chlorido­(2-{[2-(phenyl­car­bamo­thioyl)hydrazin-1-yl­idene](pyridin-2-yl)methyl}pyridin-1-ium)gold(I) chloride sesqui­hydrate

Synthesis and structural characterization of a new gold(I) complex with di-2-pyridyl ketone phenyl­thio­semicarbazone, [AuCl(C₁₈H₁₆N₅S)]Cl·1.5H₂O

Crystal structure of di­chlorido­(4,11-di­methyl-1,4,8,11-tetra­aza­bicyclo­[6.6.2]hexa­deca­ne)iron(III) hexa­fluorido­phosphate

In contrast to other similar compounds, [FeCl₂(C₁₄H₃₀N₄)]PF₆ is a monomer. Comparison with the mononuclear Fe²⁺ complex of the same ligand shows that the smaller Fe³⁺ ion is more fully engulfed by the cavity of the bicyclic ligand. Comparison with the μ-oxo dinuclear complex of an unsubstituted ligand of the same size demonstrates that the methyl groups of 4,11-dimethyl-1,4,8,11-tetra­aza­bicyclo­[6.6.2]hexa­decane prevent dimerization upon oxidation.

Crystal structure of aqua-1κO-{μ-2-[(2-hy­droxy­ethyl)methylamino]ethanolato-2:1κ⁴O¹,N,O²:O¹}[μ-2,2′-(methylimino)di­ethanolato-1:2κ⁴O,N,O′:O]di­thio­cyanato-1κN,2κN-chromium(III)copper(II)

[Cr(μ-mdea)Cu(μ-Hmdea)(NCS)₂H₂O], (where mdeaH₂ is N-methyldi­ethano­lamine) is formed as a neutral heterometal Cu^II/Cr^III complex whose mol­ecular structure is based on a binuclear {CuCr(μ-O)₂} core. In the crystal, the binuclear complexes are linked via two pairs of O—H⋯O hydrogen bonds to form inversion dimers, which are arranged in columns parallel to the a axis.

Crystal structure of (μ-N-allyl­thio­urea-κ²S:S)bis­[μ-bis­(di­phenyl­phosphanyl)methane-κ²P:P′]bis­[bromido­copper(I)] aceto­nitrile disolvate

In the solvated dinuclear complex [Cu₂Br₂(ATU)(dppm)₂]·2CH₃CN, both Cu⁺ ions adopt distorted tetra­hedral geometries, being coordinated by one terminal Br atom, one μ²-S atom of the bridging ATU ligand and two P atoms of the bridging dppm ligands. Within the complex, intra­molecular C—H⋯S, C—H⋯π, N—H⋯Br and π–π stacking inter­actions are observed. In the crystal, the components are linked by N—H⋯Br and C—H⋯N hydrogen bonds and weak π–π stacking inter­actions, generating chains propagating in the [100] direction.

Crystal structure of 2,4-di­nitro­phenyl 4-methyl­benzene­sulfonate: a new polymorph

The title compound, C₁₃H₁₀N₂O₇S, was solved in the ortho­rhom­bic space group Pna2₁. The aromatic substituents on the sulfonate group are oriented gauche to one another with a C—O—S—C torsion angle of −62.0 (3)°. The supra­molecular features that contribute to the crystal lattice are offset π-π and multiple C—H⋯O inter­actions.

Crystal structure of 1-[(2,3-di­hydro-1H-naphtho­[1,2-e][1,3]oxazin-2-yl)meth­yl]naphthalen-2-ol: a possible candidate for new polynaphthoxazine materials

A novel naphthoxazine has been synthesized and structurally characterized. In the crystal, pairs of inversion-related mol­ecules are linked into inversion dimers via C—H⋯π inter­actions.

The crystal structures of six (2E)-3-aryl-1-(5-halogeno­thio­phen-2-yl)prop-2-en-1-ones

Six closely related (2E)-3-aryl-1-(5-halogeno­thio­phen-2-yl)prop-2-en-1-ones all have nearly planar mol­ecular skeletons. C—H⋯O hydrogen bonds are present in only three of the structures but short Br⋯Br, Br⋯O and Cl⋯Cl contacts are also present in some of the structures.

Crystal structure of an unknown solvate of {2,2′-[ethane-1,2-diylbis(nitrilo­methanylyl­idene)]diphenolato-κ⁴O,N,N′,O′}(N-ferrocenylisonicotinamide-κN¹)cobalt(II): a Co^II–salen complex that forms hydrogen-bonded dimers

The title cobalt(II) complex was prepared by mixing equimolar amounts of {2,2′-[ethane-1,2-diylbis(nitrilo­methanylyl­idene)]diphenolato}cobalt(II) and N-ferrocenylisonicotinamide in dry di­chloro­methane under nitro­gen and subsequently characterized by ESI–MS, IR, and single-crystal X-ray diffraction. The structure at 100 K has triclinic (P) symmetry and indicates that the complex crystallizes as a mixture of λ and δ conformers. It exhibits the expected square-pyramidal geometry about the Co^II atom, and forms hydrogen-bonded dimers through the amide N—H group and one of the phenolate O atoms on adjacent mol­ecules.

Crystal structure of hexa­aqua­nickel(II) bis­{2-[(5,6-di­hydr­oxy-3-sul­fon­ato­quino­lin-1-ium-7-yl)­oxy]acetate} dihydrate

In the packing of the title compound, Ni(H₂O)₆ is acting as a glue between neighbouring zwitterionic quinoline derivatives which are not directly complexing with Ni^II.

Crystal structure of post-perovskite-type CaIrO₃ reinvestigated: new insights into atomic thermal vibration behaviors

Single crystals of CaIrO₃ were grown from a CaCl₂ flux at atmospheric pressure and crystallized with the post-perovskite type of structure. The crystal structure is reinvestigated on the basis of single-crystal X-ray diffraction data measured using a high-power X-ray source, and the atomic thermal vibration behavior is discussed in terms of the coordination environments.

Crystal structure of bis­(3-bromo­mesit­yl)(quino­lin-1-ium-8-yl)boron(III) tribromide

The structure of bis­(3-bromo­mesit­yl)8-quinolyliniumboron(III) tribromide is reported: the refinement indicates that a degree of `over-bromination' of the cation has occurred.

Crystal structure of bis­[μ-1,2-bis­(di­phenyl­phosphan­yl)ethane-κ²P:P′]bis­[(N,N′-di­ethyl­thio­urea-κS)iodidocopper(I)]

Crystal structure of catena-poly[bis­(formato-κO)bis­[μ₂-1,1′-(1,4-phenyl­ene)bis­(1H-imidazole)-κ²N³:N^3′]cobalt(II)]

Crystal structure of octa-μ₃-selenido-(p-toluene­sulfonato-κO)penta­kis­(tri­ethyl­phosphane-κP)-octa­hedro-hexa­rhenium(III) p-toluene­sulfonate di­chloro­methane disolvate

Crystal structure of di­bromido­bis­(1,3-di­benzyl-1,3-diazinan-2-one-κO)cobalt(II)

Crystal structure of (2-amino-7-methyl-4-oxidopteridine-6-carboxyl­ato-κ³O⁴,N⁵,O⁶)aqua­(1,10-phenanthroline-κ²N,N′)zinc trihydrate

Crystal structure of [N,N′-bis­(4-methyl­phen­yl)-1,2-di­phenyl­ethane-1,2-di­imine-κ²N,N′]di­chlorido­palladium(II) methanol monosolvate

Crystal structure of (piperidine-1-carbo­dithio­ato-κ²S,S)[2-(pyridin-2-yl)phenyl-κ²C¹,N]palladium(II)

Crystal structure of poly[[hexa­qua-1κ⁴O,2κ²O-bis­(μ₃-pyridine-2,4-di­car­box­ylato-1κO²:2κ²N,O^2′;1′κO⁴)cobalt(II)­strontium(II)] dihydrate]

Crystal structure of cis,fac-{N,N-bis­[(pyridin-2-yl)meth­yl]methyl­amine-κ³N,N′,N′′}di­chlorido­(di­methyl sulfoxide-κS)ruthenium(II)

Crystal structure of bis­(μ₂-tetra­bromo­phthalato-κ²O¹:O²)bis­[aqua(N,N,N′,N′-tetra­methyl­ethane-1,2-di­amine-κ²N,N′)copper(II)]

Crystal structure of bis­[2-(benzo­thia­zol-2-yl)phenolato-κ²N,O]copper(II)

Crystal structure of di-μ-chlorido-bis­(chlorido­{N¹-phenyl-N⁴-[(pyridin-2-yl-κN)methyl­idene]benzene-1,4-di­amine-κN⁴}mercury(II))

Crystal structure of 2-azido-1H-imidazole-4,5-di­carbo­nitrile

Crystal structure of 4,5-di­nitro-1H-imidazole

Crystal structure of 3-[4-(1H-imidazol-1-yl)phen­yl]-2-(4-nitro­phen­yl)prop-2-ene­nitrile

Crystal structure of 2-methyl-N-{[2-(pyri­din-2-yl)eth­yl]carbamo­thio­yl}benzamide

Crystal structure of 2,2′-bis­[(2-chloro­benz­yl)­oxy]-1,1′-bi­naphthalene

Crystal structure of N-(2-{[2,6-bis­(2,2,2-tri­fluoro­acetamido)­phen­yl]disulfan­yl}-3-(2,2,2-tri­fluoro­acetamido)­phen­yl)-2,2,2-tri­fluoro­acetamide

Crystal structure of 2-phenyl­ethanaminium 3-carb­oxy­prop-2-enoate

Crystal structure of 2,5-di­methyl­anilinium salicylate

Crystal structure of 2-methyl­amino-4-(6-methyl-4-oxo-4H-chromen-3-yl)-3-nitro­pyrano[3,2-c]chromen-5(4H)-one with an unknown solvate

Crystal structure of S-(4-methyl­benz­yl) piperidine­dithio­carbamate

Crystal structure of 4-(6-bromo-4-oxo-4H-chromen-3-yl)-2-methyl­amino-3-nitro­pyrano[3,2-c]chromen-5(4H)-one chloro­form monosolvate

Crystal structure of 3-amino-2-ethyl­quinazolin-4(3H)-one

Crystal structure of 6,7-di­chloro-4-oxo-4H-chromene-3-carbaldehyde

Crystal structure of dimethomorph

Crystal structure of 2-amino­pyridinium 6-chloro­nicotinate

Crystal structure of 2-meth­oxy-2-[(4-meth­oxy­phen­yl)sulfan­yl]-1-phenyl­ethanone

Crystal structure of 1-iso­propyl-4,7-di­methyl-3-nitro­naphthalene

Crystal structure of L-tryptophan–fumaric acid–water (1/1/1)

Crystal structure of 5-benzoyl-2,4-di­phenyl-4,5-di­hydro­furan-3-carbo­nitrile

Redetermined crystal structure of N-(β-carb­oxy­eth­yl)-α-isoleucine

Crystal structure of [1,1′:3′,1′′-ter­phenyl]-2′,3,3′′-tri­carb­oxy­lic acid

Crystal structure of ethyl 4-(2-chloro­phen­yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo­thia­zole-3-carboxyl­ate

Crystal structure of 1,3,5-tri­methyl-2,4-di­nitro­benzene

Crystal structure of 10-[(3-oxo-3H-benzo[f]chromen-1-yl)meth­yl]-2-tri­fluoro­methyl-9a,10-di­hydro­benz[4,5]imidazo[1,2-a]pyrimidin-4(5aH)-one

Crystal structure of 3-chloro-N-(2-nitro­phen­yl)benzamide

Crystal structure of 12-benzyl­sulfanyl-2,9-di­bromo-6H-dibenzo[b,g][1,8]naphthyridin-11-one

Crystal structure of methyl 2-(7-hy­droxy-2-oxo-2H-chromen-4-yl)acetate

Crystal structure of 2-methyl­sulfanyl-1-(thio­morpholin-4-yl)­ethanone

Crystal structure of fenbuconazole

Crystal structure of ethyl 2-(4-chloro­phenyl)-3-cyclo­pentyl-4-oxo-1-propyl­imidazolidine-5-carboxylate

Crystal structure of (Z)-ethyl 3-[2-(5-methyl-7-nitro-1H-indole-2-carbon­yl)hydrazinyl­idene]butano­ate

A new polymorph of 1-({[1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-yl]iminio}meth­yl)naphthalen-2-olate

Crystal structure of 10-benzyl-9-(3,4-di­meth­oxy­phen­yl)-3,3,6,6-tetra­methyl-3,4,6,7,9,10-hexa­hydro­acridine-1,8(2H,5H)-dione

Crystal structure of rac-(3aR,4S,5aR,6S,9R,10aS,10bR)-3a,5a,9-tri­methyl­tetra­deca­hydro-6,9-ep­oxy­cyclo­hepta­[e]inden-4-ol monohydrate

Crystal structure of ammonium bis­[(pyridin-2-yl)meth­yl]ammonium dichloride

Crystal structure of (2-{[3,5-bis­(1,1-di­methyl­eth­yl)-4-hy­droxy­phen­yl](5-methyl-2H-pyrrol-2-yl­idene)meth­yl}-5-methyl-1H-pyrrolido-κ²N,N′)di­fluoridoboron

Crystal structure of 1-{(E)-[(3,4-di­chloro­phen­yl)imino]­meth­yl}naphthalen-2-ol