Different weak inter­actions in the crystals of three isomeric (E)-N-methyl-N′-(nitro­benzyl­idene)-2-(thio­phen-2-yl)acetohydrazides

Three isomeric methyl­ated 2-(thio­phen-2-yl)acetohydrazides show little consistency in the pattern of weak (C—H⋯O, C—H⋯π and π–π) inter­actions in their crystal structures.

Crystal structure of aqua­tris­{μ-N-[bis­(di­ethyl­amino)phosphoryl]-2,2,2-tri­chloroacetamidato-κ³O,O′:O}calciumsodium

In the title compound, three ligands are coordinated to the Ca²⁺ ion in a bidentate-chelated manner via the O atoms of the CO and PO groups. The sodium ion is encapsulated between three chelated metallacycles {CaL}(where L⁻ = Cl₃CC(O)NP(O)[N(C₂H₅)₂]₂) due to the bridging function of the carbonyl O atoms and it is capped by the water mol­ecule.

Crystal structure of 3,5-di­methyl­pyridine N-oxide dihydrate

In the title hydrate, water mol­ecules and N-oxide groups of the main mol­ecule form supra­molecular chains based on R(10) ring motifs.

Two di­alkyl­ammonium salts of 2-amino-4-nitro­benzoic acid: crystal structures and Hirshfeld surface analysis

The structures of two ammonium salts of 2-amino-4-nitro­benzoic acid are described. Substantial hydrogen bonding leads to supra­molecular layers in the [Me₂NH₂]⁺ salt and a three-dimensional architecture in the case of the [n-Bu₂NH₂]⁺ salt.

Bis(N,N-di­ethyl­dithio­carbamato-κ²S,S′)(3-hy­droxy­pyridine-κN)zinc and bis­[N-(2-hy­droxy­eth­yl)-N-methyldi­thio­carbamato-κ²S,S′](3-hy­droxy­pyridine-κN)zinc: crystal structures and Hirshfeld surface analysis

Highly-distorted five-coordinate NS₄ coordination geometries are found in each of Zn(S₂CNEt)₂(pyOH) and Zn[S₂CN(Me)CH₂CH₂OH]₂(pyOH); pyOH is 3-hy­droxy­pyridine. In their respective crystals, hydrogen bonding leads to dimeric aggregates in the former (O—H⋯S) and supra­molecular chains in the latter (O—H⋯O, S).

Crystal structure of [UO₂(NH₃)₅]NO₃·NH₃

The title compound, [UO₂(NH₃)₅]NO₃·NH₃, contains a penta­gonal–bipyramidal [UO₂(NH₃)₅]⁺ cation, a nitrate anion and an ammonia mol­ecule of crystallization.

Crystal structure of a 2:1 piroxicam–gentisic acid co-crystal featuring neutral and zwitterionic piroxicam mol­ecules

A new co-crystal of piroxicam and gentisic acid has been characterized, in which the ratio of piroxicam (one neutral mol­ecule and one zwitterion) to gentisic acid is 2:1.

Two cadmium coordination polymers with bridging acetate and phenyl­enedi­amine ligands that exhibit two-dimensional layered structures

Two cadmium coordination polymers have two-dimensional polymeric structures in which monomeric units are joined by bridging acetate and benzenedi­amine ligands. Each of the Cd^II ions has an O₄N₂ coordination environment.

Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde

In the crystal of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde, mol­ecules are linked through stacking inter­actions and C—H⋯O hydrogen bonds. Halogen bonds between the formyl O and I atoms are also formed.

Crystal structure of N,N′-bis­(pyridin-3-ylmeth­yl)cyclo­hexane-1,4-di­ammonium dichloride

The title salt, C₁₈H₂₆N₄²⁺·2Cl⁻, is located about a crystallographic inversion centre at the centre of the cyclo­hexyl ring, which adopts a chair conformation. In the crystal, N⁺(C)—H⋯Cl⁻ hydrogen bonds and π–π stacking inter­actions lead to the formation of a three-dimensional supra­molecular network.

Crystal structure of 1,3-bis­[(E)-4-meth­oxy­benzyl­idene­amino]­propan-2-ol

In the crystal of 1,3-bis­[(E)-4-meth­oxy­benzyl­idene­amino]­propan-2-ol, mol­ecules are linked by O—H⋯N hydrogen bonds into C(5) supra­molecular chains propagating along the a-axis direction.

Crystal structure of 5,7,12,14-tetra­hydro-5,14:7,12-bis­([1,2]benzeno)­penta­cene-6,13-dione

5,7,12,14-Tetra­hydro-5,14:7,12-bis­([1,2]benzeno)­penta­cene-6,13-dione, used as a precursor in the synthesis of polymers of intrinsic microporosity (PIM) membranes, recrystallizes from DMF.

Crystal structures of two new carbazole derivatives: 12-(4-nitro­phen­yl)-7-phenyl­sulfonyl-7H-benzofuro[2,3-b]carbazole and 2-methyl-4-(4-nitro­phen­yl)-9-phenyl­sulfonyl-9H-thieno[2,3-b]carbazole

The title compounds are carbazole derivatives, with a benzo­furan ring system in (I) and a methyl­thio­phene ring in (II) fused with the respective carbazole moiety. In the crystals of both compounds, mol­ecules are linked via C—H⋯O hydrogen bonds, forming sheets lying parallel to (10).

Crystal structures of three carbazole derivatives: 12-ethyl-7-phenyl­sulfonyl-7H-benzofuro[2,3-b]carbazole, (1), 2-(4,5-dimeth­oxy-2-nitro­phen­yl)-4-hy­droxy-9-phenyl­sulfonyl-9H-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenyl­sulfonyl-7H-benzofuro[2,3-b]carbazole, (3)

The title compounds are carbazole derivatives. In all three compounds, the carbazole skeleton is essentially planar. In two of the compounds, a benzo­furan moiety is fused with a carbazole unit. Inter­molecular C—H⋯O hydrogen bonds give rise to (12) inversion dimers in one compound, and to (40) ring motifs and (24) inversion dimers in a second compound. In the crystal of the third compound, C—H⋯O hydrogen bonds link the mol­ecules to form chains running parallel to the a axis.

Crystal structure of 7-hy­droxy-8-[(4-methyl­piperazin-1-yl)meth­yl]-2H-chromen-2-one

There is an intra­molecular O—H⋯N hydrogen bond forming an S(6) ring motif in the title compound. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds with a C(4) chain motif, and also by C—H⋯π inter­actions. The chains are linked by π–π inter­actions, forming a sheet parallel to the bc plane.

Crystal structure of a dimeric β-diketiminate magnesium complex

The crystal structure of a dimeric β-diketiminate magnesium(II) complex crystallizes as two independent mol­ecules, each with 2/m crystallographic site symmetry, located at Wyckoff sites 2c and 2d. These have symmetry-equivalent magnesium atoms bridged by μ-iodide ligands with very similar Mg—I distances.

Crystal structures of two solvates of (18-crown-6)potassium acetate

Hydrogen bonding plays an important role in the structures of two solvated forms of [K(18c6)]OAc (18c6 = 18-crown-6 = 1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane and OAc = acetate).

Crystal structures of p-substituted derivatives of 2,6-di­methyl­bromo­benzene with ½ ≤ Z′ ≤ 4

Four bromo­arenes are characterized by different contents for their asymmetric units, with Z′ varying from ½ to 4, depending on the nature of a single functional group.

Crystal structure of fac-[2-(4-methyl-5-phenyl­pyridin-2-yl)phenyl-κ²C¹,N]bis­[2-(pyridin-2-yl)phenyl-κ²C¹,N]iridium(III)

The Ir^III atom in the title mol­ecule adopts a distorted octa­hedral C₃N₃ coordination environment, being C,N-chelated by two 2-(pyridin-2-yl)phenyl ligands and one 2-(4-phenyl-5-methyl­pyridin-2-yl)phenyl ligand.

Crystal structures of hydrogen-bonded co-crystals as liquid crystal precursors: 4-(n-pent­yloxy)benzoic acid–(E)-1,2-bis­(pyridin-4-yl)ethene (2/1) and 4-(n-hex­yloxy)benzoic acid–(E)-1,2-bis­(pyridin-4-yl)ethene (2/1)

The two title compounds comprise two acid mol­ecules and one base mol­ecule linked by O—H⋯N hydrogen bonds, forming a linear hydrogen-bonded 2:1 unit.

A tetra­nuclear cubane-like nickel(II) complex with a tridentate salicyl­idene­imine Schiff base ligand: tetra­kis­[μ₃-4-methyl-N-(2-oxidophen­yl)salicylideneiminato]tetra­kis­[methano­lnickel(II)] methanol 0.8-solvate

In the continuation of our research on Ni₄L₄ cubane-like clusters with salicyl­idene­imine Schiff base type of ligands, the crystal and mol­ecular structure of an analogous complex of formula [Ni₄L₄(CH₃OH)₄]·0.8CH₃OH [L = N-(2-hy­droxy-4-methyl­phen­yl)salicyl­idene­imine] is reported in order to investigate the influence of the methyl-group position of the ligand on the geometry of the cubane core, as well as on the supra­molecular assembling of the cluster units and consequently on the magnetostructural properties of this class of compounds.

Crystal structure of catena-poly[di­ammonium [di-μ-oxalato-cuprate(II)]]

The polymeric title compound was formed unexpectedly from the reaction of bis­(diiso­propyl­phosphan­yl)amine with copper oxalate hemihydrate. It shows extensive N—H⋯O hydrogen bonding, as well as long Cu⋯O inter­actions.

Crystal structure of vilazodone hydro­chloride methanol monosolvate

In the title compound, the protonated piperazine ring adopts a chair conformation while the indole ring plane is nearly perpendicular to the benzo­furan ring system.

Crystal and mol­ecular structures of two silver(I) amidinates, including an unexpected co-crystal with a lithium amidinate

In the dimeric silver(I) amidinates [Ag{RC(NR′)₂}]₂ (R = Ph, cyclo­propyl­alkynyl; R′ = Cy, ⁱPr), a centrosymmetric planar Ag₂N₄C₂ ring with strictly linearly coordinated silver ions is present. [Ag{cyclo-C₃H₅—C≡C–C(NCy)₂}]₂ forms a 1:1 co-crystal with the related lithium derivative [Li{cyclo-C₃H₅—C≡C–C(NCy)₂}(THF)]₂, in which the lithium component exhibits a typical dimeric ladder structure.

Crystal structure of hexa­kis­(di­methyl sulfoxide-κO)manganese(II) tetra­iodide

The crystal structure of hexa­kis­(dimethyl sulfoxide-κO)manganese(II) tetra­iodide is isotypic with the Co, Ni, Cu and Zn analogues.

Crystal structure of a compact three-dimensional metal–organic framework based on Cs⁺ and (4,5-di­cyano-1,2-phenyl­ene)bis­(phospho­nic acid)

The three-dimensional metal–organic framework compound prepared from Cs⁺ and the organic linker 4,5-di­cyano-1,2-phenyl­ene)bis­(phospho­nic acid is based on an irregular CsO₈N₂ coordination center comprising a single monodentate hydro­nium O-atom donor, together with multiple bridging links to the two phospho­nate O-atom donors and to the two nitrile N-atom donors.

[N,N-Bis(2-hy­droxy­eth­yl)di­thio­carbamato-κ²S,S′]bis­(tri­phenyl­phosphane-κP)copper(I) chloro­form monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements

A tetra­hedral CuP₂S₂ coordination geometry is found for the Cu^I ion in the title compound. The di­thio­cabamate ligand forms symmetric Cu—S bonds. In the crystal, supra­molecular dimers of complex mol­ecules are connected via eight-membered {⋯H—O⋯H—O}₂ synthons. In addition, the chloro­form mol­ecule participates in Cl⋯π(arene) and S⋯Cl inter­actions.

Synthesis and crystal structure of a new alluaudite-like iron phosphate Na₂CaMnFe(PO₄)₃

Disodium calcium manganese iron tris­(phosphate), Na₂CaMnFe(PO₄)₃, crystallizes in the monoclinic space group C2/c. The structure belongs to the alluaudite structural type and thus, it obeys the X(2)X(1)M(1)M(2)₂(PO₄)₃ general formula. Both the X(2) and X(1) sites are fully occupied by sodium, while M(1) is occupied by calcium and M(2) exhibits a statistical distribution of iron and manganese.

Crystal structure of N,N′-di­benzyl­pyromellitic di­imide

The title compound, C₂₄H₁₆N₂O₄ (systematic name: 2,6-di­benzyl­pyrrolo­[3,4-f]iso­indole-1,3,5,7(2H,6H)-tetra­one), lies about a crystallographic inversion center at the center of the pyromellitic di­imide moiety which is planar. In the crystal, inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions lead to the formation of a two-dimensional supra­molecular network.

Synthesis and crystal structure of 4-fluoro­benzyl­ammonium di­hydrogen phosphate, [FC₆H₄CH₂NH₃]H₂PO₄

The crystal structure of 4-fluoro­benzyl­ammonium di­hydrogen phosphate, [FC₆H₄CH₂NH₃]H₂PO₄, consists of layers of 4-fluoro­benzyl­ammonium cations and di­hydrogen phosphate anions that alternate along the c axis, connected by hydrogen bonds into a three-dimensional network.

Crystal structure of oxam­yl

The title compound, which is used as an acaricide, insecticide and mematicide, crystallizes with two independent mol­ecules in the asymmetric unit. In the crystal, hydrogen bonds link adjacent mol­ecules, forming a three-dimensional network of mol­ecules stacked along the a-axis direction.

1-[(Anthracen-9-yl)carbon­yl]-2,7-di­meth­oxy­naphthalene: a chain-like structure composed of face-to-face type dimeric mol­ecular aggregates

The asymmetric unit of the title compound contains two independent mol­ecules (A and B). In the crystal, mol­ecules of each conformer make a face-to-face type dimeric mol­ecular aggregate with two pairs of C—H⋯π hydrogen bonds (A) or a pair of (sp²)C—H⋯O hydrogen bonds (B). The dimeric mol­ecular aggregates composed of same conformers are linked to each other into a chain through π–π stacking inter­actions (A) or a pair of C—H⋯π hydrogen bonds (B) along the b axis. The chains are aligned along the c axis by weak van der Waals inter­actions or (sp²)C—H⋯O=O hydrogen bonds, and they are alternately stacked along the a axis.

Crystal structure of bis­(3,5-di­methyl­pyridine-κN)bis­(methanol-κO)bis­(thio­cyanato-κN)cobalt(II)

The crystal structure of the title cobalt(II) compound consists of discrete octa­hedral complexes that are linked by inter­molecular O—H⋯S hydrogen bonding into chains.

Crystal structure of trans-di­aqua­bis­(4-cyano­benzoato-κO)bis­(N,N-di­ethyl­nicotinamide-κN)cadmium

The Cd^II atom in the title complex, [Cd(C₁₀H₁₄N₂O)₂(C₈H₄NO₂)₂(H₂O)₂], is located on an inversion centre and is coordinated by an N₂O₄ donor set from pairs of water, 4-cyano­benzoate and N,N-di­ethyl­nicotinamide ligands.

Crystal structure of di­ethyl­ammonium aniline-4-sulfonate anilinium-4-sulfonate

The title compound consists of an di­ethyl­ammonium–aniline­sulfonate ion pair and a zwitterionic aniliniumsulfonate mol­ecule.

Crystal structures of two ansa-titanocene tri­fluoro­methane­sulfonate complexes bearing the Me₂Si(C₅Me₄)₂ ligand

The crystal structures of two ansa-titanocene tri­fluoro­methane­sulfonate complexes bearing the Me₂Si(C₅Me₄)₂ ligand are reported. Both complexes display a bent metallocene unit, the metal centre is coordinated in a distorted tetra­hedral geometry.

Crystal structure of fluroxypyr

The title compound {systematic name: 2-[(4-amino-3,5-di­chloro-6-fluoro­pyridin-2-yl)­oxy]acetic acid}, C₇H₅Cl₂FN₂O₃, is a pyridine herbicide. In the crystal, N—H⋯O, O—H⋯O and N—H⋯F hydrogen bonds and weak π–π inter­actions connect chains of mol­ecules into a three-dimensional network.

Crystal structures of three bicyclic carbohydrate derivatives

The structures of three bicyclic carbohydrates derivatives containing cyclo­butanone or cyclo­lactame beside the pyran­ose ring are reported and the conformation and configuration established.

Crystal structure of (aceto­nitrile-κN)iodido­(2-(naphthalen-1-yl)-6-{1-[(2,4,6-tri­methyl­phen­yl)imino]ethyl}­pyridine-κ²N,N′)copper(I)

The Cu^I atom in the mol­ecular structure of the title compound exhibits a distorted tetra­hedral coordination sphere, defined by two N atoms of the chelating ligand, one N atom of the aceto­nitrile ligand and one iodide ligand.

Crystal structure of bis­(bis­{μ₃-3-methyl-3-[(4-nitro-2-oxido­benzyl­idene)amino]­propane-1,3-diolato}tris­[chlorido­(di­methyl sulfoxide)­iron(III)]) di­methyl sulfoxide hepta­solvate dihydrate

The title compound is based on a trinuclear {Fe₃(μ-O)₄} core with an angular arrangement of the Fe^III ions that can be explained by geometrical restrictions of two bulky ligands each coordinated to all the metal centres.

Crystal structure and computational studies of (3Z)-4-benzoyl-3-[(2,4-di­nitro­phen­yl)hydrazinyl­idene]-5-phenyl­furan-2(3H)-one

The mol­ecular structure of the title mol­ecule was confirmed by theoretical calculations using DFT(B3YLP) methods.

Crystal structure of a 2:1 co-crystal of meloxicam with acetyl­endi­carb­oxy­lic acid

The crystal structure of a new 2:1 co-crystal of meloxicam and acetyl­endi­carb­oxy­lic acid is reported

Crystal structure of [Ag(NH₃)₃]₂[Ag(NH₃)₂]₂[SnF₆]F₂, a compound showing argentophilic inter­actions

The structure of [Ag(NH₃)₃]₂[Ag(NH₃)₂]₂[SnF₆]F₂ contains linear diammine silver(I) and T-shaped triammine silver(I) cations which show short Ag⋯Ag distances in the range of argentophilic inter­actions.

The synthesis and crystal structure of 2-(chloro­selan­yl)pyridine 1-oxide: the first monomeric organoselenenyl chloride stabilized by an intra­molecular secondary Se⋯O inter­action

2-(Chloro­selan­yl)pyridine 1-oxide represents the first monomeric organoselenenyl chloride stabilized by an intra­molecular secondary Se⋯O inter­action.

Synthesis and structure of 1-(2-bromo­phen­yl)-2-chloro-3-(2-chloracet­yl)-1H-indole

In this indole derivative, the dihedral angle between the mean plane of the indole ring system and the mean plane of the benzene ring of the 2-bromo­phenyl group is 77.6 (1)°. In the crystal, pairs of mol­ecules are face-to-face embraced via two weak C—H⋯O hydrogen bonds, forming inversion dimers which are connected by head-to-head Cl⋯Cl inter­molecular contacts to build a mol­ecular sheet parallel to (101). Neighbouring sheets are stacked together by further short Cl⋯Cl inter­molecular contacts to construct the three-dimensional structure.

Crystal structure of trans-cyclo­hexane-1,2-di­ammonium chromate(VI) from synchrotron X-ray diffraction data

In the title compound, (C₆H₁₆N₂)[CrO₄], the trans-cyclo­hexane-1,2-di­ammonium cations and chromate anions are connected through N—H⋯O hydrogen bonds. The tetra­hedral CrO₄²⁻ anion is slightly distorted due to the influence of the hydrogen bonds.