(E)-4-[4-(Di­methyl­amino)­styr­yl]-1-methyl­pyridin-1-ium tetra­kis­[(Z)-4,4,4-tri­fluoro-3-oxo-1-(thio­phen-2-yl)but-1-en-1-olato]gadolinate(III) with an unknown amount of water as solvate

In the crystal, the cations are linked with the Ga^III complex anions via weak C—H⋯F and C—H⋯π inter­actions.

Poly[butane-1,4-di­ammonium [tri-μ-oxalato-dimanganese(II)] hexa­hydrate]

In the crystal structure of the coordination polymer, {(C₄N₂H₁₄)[Mn₂(C₂O₄)₃]·6H₂O}_n, a two-dimensional honeycomb-like network is constructed from oxalate ligands and the Mn^II cations. Butane-1,4-di­ammonium ions are incorporated into the voids in the network as counter-cations.

Redetermination of di­aqua­[N,N′-bis­(3-meth­oxy-2-oxido­benzyl­idene)ethyl­enedi­amine-κ⁴O,N,N′,O′]manganese(III) perchlorate at 100 K

In contrast to the previous crystal structure determinations (room-temperature data) of the title compound, there is no disorder observed at 100 K.

Redetermination of catena-poly[[chloridolead(II)]-μ₂-chlorido-di-μ₂-thio­urea-κ⁴S:S] at 100 K

The crystal structure of the polymeric lead(II) thio­urea complex [Pb^IICl₂(SCN₂H₄)₂]_n has been re-refined with significantly higher precision and accuracy using single-crystal X-ray diffraction data with a CCD detector at 100 K.

Ferrocene­carb­oxy­lic anhydride: a redetermination

The structure of ferrocene­carb­oxy­lic anhydride is redetermined and the mol­ecular and crystal structure of the mol­ecule are detailed.

catena-Poly[[bis­{2-[3-(carb­oxy­meth­yl)adamantan-1-yl]acetato-κ²O,O′}cadmium(II)]-μ-N,N′-bis­(pyridine-4-carbox­amido)­piperazine-κ²N:N′]

A cadmium 2-[3-(carb­oxy­meth­yl)adamantan-1-yl]acetate (adaH) chain coordination polymer with N,N′-bis­(pyridine-4-carboxamido)­piperazine (bpcp) co-ligands, [Cd(adaH)₂(bpcp)]_n, was isolated and structurally characterized by single-crystal X-ray diffraction. O—H⋯O hydrogen-bonding inter­actions construct supra­molecular layers, while non-classical C—H⋯O inter­actions form the full crystal structure of the title complex.

[2-(2,2′-Bipyridin-6-yl-κ²N¹,N^1′)benzo[b][1,5]naphthyridine-κN¹]di­chlorido­zinc

In the title complex bearing a new NAD⁺/NADH-analogous ligand bbn, [Zn(C₂₂H₁₄N₄)Cl₂], the zinc(II) ion has a distorted trigonal–bipyramidal environment, coordinated by three N atoms from the bbn ligand and two Cl⁻ ions.

Poly[(μ₃-5-hy­droxy­isophthalato)[μ₂-1,1′-(1,4-phenyl­ene)bis­(1H-imidazole)]­copper]

A new Cu^II-based coordination polymer, obtained by a solvothermal method, shows a two-dimensional network which is connected by O—H⋯O hydrogen bonds to form a three-dimensional supra­molecular structure.

(4′-Phenyl-2,2′:6′,2′′-terpyridine-κ³N,N′,N′′)bis­(thio­cyanato-κN)zinc(II) unknown solvate

The title zinc(II) complex crystallizes with three independent complex mol­ecules in the asymmetric unit. The Zn^II atoms are coordinated by three N atoms of the 4′-phenyl-2,2′:6′,2′′-terpyridine ligand, and by the N atoms of two NCS⁻ anions. In the crystal, the three mol­ecules are linked by a number of offset π–π inter­actions, forming columns along the a-axis direction. The columns are linked via C—H⋯S inter­actions, forming a fence-like arrangement parallel to (001).

(2-Hy­droxy­benzoato-κO)triphen­yl(tri­phenyl­phosphine oxide-κO)tin(IV)

The Sn^IV atom in the mol­ecular title complex exhibits a trigonal–bipyramidal coordination environment with the C atoms of phenyl rings in the equatorial plane and the O atoms of the salicylate anion and the OPPh₃ group in the axial piositions.

Aqua­bis­(2,2′-bi­pyridine-κ²N,N′)chlorido­nickel(II) chloride chloro­form monosolvate hemihydrate

The complex cation of the title compound adopts a distorted octa­hedral ClN₄O coordination sphere.

Diiso­propyl­ammonium (3,6-di­chloro­benzene-1,2-di­thiol­ato)cuprato(III) tetra­hydro­furan monosolvate

The title cuprato(III) complex crystallizes as a tetra­hydro­furan monosolvate. The copper atom has a almost square-planar CuS₄ coordination environment. The complex anion and the solvent mol­ecule are linked via N—H⋯O and N—H⋯S hydrogen bonds involving the diiso­propyl­ammonium cation.

1-Benzyl-3′-[(1H-indol-3-yl)carbon­yl]-1′-methyl-2-oxo-4′-(pyridin-3-yl)spiro­[indoline-3,2′-pyrrolidine]-3′-carbo­nitrile

In the crystal of the title spiro-pyrrolidine derivative, mol­ecules are linked by N—H⋯N and C—H⋯N hydrogen bonds, forming sheets parallel to the ab plane.

(4Z)-1-Do­decyl-4-(2-oxo­propyl­idene)-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one

In the title compound, the orientation of the 2-oxo­propyl­idene group substituting the 1,5-benzodiazepine ring is determined by an intra­molecular N—H⋯O hydrogen bond.

Ethyl {[5-acetyl-3-cyano-4-(4-meth­oxy­phen­yl)-6-methyl­pyridin-2-yl]sulfan­yl}acetate

The title mol­ecules are linked by C—H⋯O hydrogen bonds and C—H⋯π inter­actions, forming a three-dimensional network.

5-(2-Methyl­furan-3-yl)-N-phenyl-1,3,4-oxa­diazol-2-amine

The X-ray structure of an oxa­diazole derivative, prepared from a substituted thio­semicarbazide, is reported.

4-Phenyl-1-[(1R,4R)-1,7,7-tri­methyl-2-oxobi­cyclo[2.2.1]heptan-3-yl­idene]hydrazinecarbo­thio­amide

The crystal structure of (R)-camphor-4-phenyl­thio­semicarbazone is reported. The mol­ecular structure is stabilized by two intra­molecular hydrogen-bonding inter­actions with graph-set motifs S(5) and S(6). The centrosymmetric arrangement of the mol­ecules resembles a herringbone packing motif along [001].

Di­ethyl 2,2′-(tris­ulfane-1,3-di­yl)dibenzoate

The mol­ecule of the title compound exhibits point group symmetry 2, with the twofold rotation axis passing through the central S atom of the tris­ulfanediyl group.

5-Anilino-4-chloro-3H-1,2-di­thiol-3-one

The title compound features non-planar mol­ecules which are held together in the crystal by N—H⋯O, C—H⋯O and π–π stacking inter­actions.

6-Amino-3-methyl-1-phenyl-1H-pyrazolo­[3,4-b]pyrazine-5-carboxamide

The planar mol­ecular conformation is stabilized by intra­molecular N—H⋯O and C—H⋯N hydrogen bonds. In the crystal, inter­molecular N—H⋯O hydrogen bonds lead to (8) ring motifs, and these aggregates are connected into sheets parallel to (101) via N—H⋯N hydrogen bonds.

Ethyl 1-(4-fluoro­benz­yl)-2-(4-meth­oxy­phen­yl)-1H-benzo[d]imidazole-5-carboxyl­ate

The title benzoimidazole derivative is T-shaped, with the meth­oxy­phenyl and the fluoro­benzyl rings inclined to the benzoimidazole ring system by 40.91 (8) and 86.04 (8)°, respectively. In the crystal, mol­ecules are linked via two pairs of C—H⋯O hydrogen bonds, forming inversion dimers with (28) and (22) ring motifs. As a result of these hydrogen bonds, ribbons propagating along [010] are formed.

Ethyl 1-benzyl-2-(4-meth­oxy­phen­yl)-1H-benzimid­azole-5-carboxyl­ate

The title benzimidazole derivative, C₂₄H₂₂N₂O₃, is T-shaped with the meth­oxy­phenyl and benzyl rings inclined to the imidazole ring system by 46.73 (10) and 88.88 (15)°, respectively. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into [101] C(14) chains.

Methyl 5-(4-hy­droxy­phen­yl)-6-oxo-1,6-di­hydro­pyrazine-2-carboxyl­ate

The title mol­ecule, which was prepared by degradation of amoxicillin with copper(II) sulfate in methanol, is approximately planar. In the crystal, layers formed by O—H⋯O and N—H⋯O hydrogen bonds inter­penetrate each other.

[1–9-NαC]-Linusorb B3 (cyclo­linopeptide A) aceto­nitrile disolvate

The title compound, [1–9-NαC]-linusorb B3 (cyclo­linopeptide A), crystallized as an aceto­nitrile disolvate and is a new ortho­rhom­bic polymorph.

4-Ammonio-5-meth­oxy-2-methyl­benzene­sulfonate

The title compound crystallizes as a zwitterion, with the negatively charged benzene­sulfonate group and the positively charged NH₃⁺ group in mutually para positions. All the non-H atoms, except for one O atom of the sulfonate group, lie on a crystallographic mirror plane (Z′ = 1/2). In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming layers parallel to the bc plane.

2-(4-Chloro-2-nitro­phen­yl)-5-[4-(prop­yloxy)phen­yl]-1,3,4-oxa­diazole

In the title compound, the diphenyl-1,3,4-oxa­diazole unit is nearly planar but with the nitro group strongly twisted by 73.59 (16)° out of the plane of the benzene ring to which it is attached. In the crystal, C—H⋯O and C—H⋯N hydrogen bonds connect the mol­ecules, forming ribbons propagating along direction [010].

1-(3,4-Di­meth­oxy­phen­yl)ethanone

The crystal structure of 3,4-di­meth­oxy­acetobenzo­phenone is reported. In the crystal, mol­ecules are linked by C–H⋯O and π-π inter­actions.

3-(9H-Carbazol-9-yl)propanoic acid

Both asymmetric mol­ecules form carb­oxy­lic-acid inversion dimers in the crystal.

Methyl 5-(4-hy­droxy­phen­yl)-6-oxo-1,6-di­hydro­pyrazine-2-carboxyl­ate monohydrate

In the title hydrate, the dihedral angle between the aromatic rings is 37.70 (10)°.

9H-Carbazole-9-carbaldehyde

The title carbazole derivative crystallized with two independent mol­ecules (A and B) in the asymmetric unit. In the crystal, the A and B mol­ecules are linked by a C—H⋯O hydrogen bond and stack along the b-axis direction.

5-(2-Eth­oxy-4-fluoro­phen­yl)-1,2,4-triazolo[1,5-a]pyrimidine

The dihedral angle between the triazolo­pyrimidine and fluoro­phenyl rings is 39.16 (12)°. In the crystal, mol­ecules are connected through C—H⋯N hydrogen bonds.

9-Butyl-3-nitro-9H-carbazole

The title compound is a carbazole derivative with the 3-position substituted by a nitro group and the 9-position substituted by an n-butyl group.

4-Methyl­pyridinium 2-carb­oxy-6-nitrobenzoate

One of the phthalic acid carb­oxy­lic acid groups is deprotonated in the title salt. In the crystal, the anions are linked into an [001] chain by O—H⋯O hydrogen bonds. The cations are linked to these chains by N—H⋯O hydrogen bonds and weak C—H⋯O contacts, generating a three-dimensional network.

(E)-3-(2,3-Di­chloro­phen­yl)-1-(4-fluoro­phen­yl)prop-2-en-1-one

In the title chalcone derivative, the dihedral angle between the aromatic rings is 19.13 (15)° and the double bond adopts an E conformation. In the crystal, mol­ecules are connected by weak C—H⋯O hydrogen bonds, forming a chain propagating along the [001] direction.

3-Methyl-5-(4-methyl­piperazin-1-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde

In the title compound, the dihedral angle between the pyrazole and phenyl rings is 53.86 (12)°. The piperazine ring adopts a chair conformation with the exocyclic N—C bonds in equatorial orientations. In the crystal, mol­ecules are linked by very weak C—H⋯O hydrogen bonds, generating [010] C(8) chains.

4-Amino-5-tetra­decyl­amino-4H-1,2,4-triazol-1-ium chloride

The title salt has a layered structure with hydro­philic and hydro­phobic regions.

N-[3-Methyl-1-phenyl-1-(1H-tetra­zol-1-yl)butan-2-yl]acetamide

The bond between the two chiral C atoms act as the bridge connecting the six-membered phenyl rings, the five-membered 1H-tetra­zole ring and the acetamide unit. The mol­ecules are linked through inter­molecular C—H⋯O and N—H⋯N inter­actions.

A second polymorph of 3H-1,2-benzodi­thiole-3-thione

3H-1,2-Benzodi­thiole-3-thione is a 1,2-di­thiole-3-thione derivative, a very promising bioactive compound family. The motivation behind the present study is understanding the crystal structure of this compound.

4,5-Di­chloro-3H-1,2-di­thiol-3-one

The title compound belongs to the family of 1,2-di­thiol-3-one derivatives, which contains bioactive compounds. Understanding the crystal structure of these compounds is the driving force behind this study.

(2Z)-2-Benzyl­idene-4-[(1-benzyl-1H-1,2,3-triazol-4-yl)meth­yl]-3,4-di­hydro-2H-1,4-benzo­thia­zin-3-one

The di­hydro­benzo­thia­zine unit is twisted by 1.0 (2)°. The packing comprises chains running parallel to the c axis formed by weak C—H⋯O hydrogen bonds.

3-[2-(9H-Carbazol-9-yl)eth­yl]-4-phenyl-1H-1,2,4-triazole-5(4H)-thione di­methyl sulfoxide mono­solvate

In the title compound, the lattice solvent is strongly hydrogen bonded to the triazole­thione substituent. The main mol­ecules form columns parallel to the a axis with the solvent mol­ecules located between the columns. Within the columns, C—H⋯S hydrogen bonds and C—H⋯π(ring) inter­actions are operative.

1,5-Di­chloro-1,1,2,2,3,3,4,4,5,5-deca­phenyl­penta­silane

The title compound was obtained by a ring-opening reaction of deca­phenyl­cyclo­penta­silane. The chain of silicon atoms adopts an all trans conformation. One of the Cl atoms is in an anti­periplanar conformation with respect to the Si chain [Cl—Si—Si—Si = −156.40 (5)°] while the other Cl substituent adopts a synclinal conformation.

1-Benzyl-3-hy­droxy-4-phenyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one

The title 1,5-benzodiazepine forms chains in the crystal through N—H⋯O hydrogen bonds, reinforced by inter­molecular O—H⋯π(ring) and C—H⋯π(ring) inter­actions.

4-Amino-3-[2-(9H-carbazol-9-yl)eth­yl]-1H-1,2,4-triazole-5(4H)-thione di­methyl sulfoxide monosolvate

The title 1,2,4-triazole derivative crystallizes with a disordered dimethyl sulfoxide mol­ecule. In the crystal, the components form centrosymmetric dimers that are linked together by classical and non-classical hydrogen bonds, as well as π–π stacking.

6-Bromo-1,2,3,4-tetra­hydro­quinoline-8-carbo­nitrile

Inversion dimers linked by pairs of N—H⋯N hydrogen bonds generate (12) loops.

2,5-Bis(4-chloro­benzyl­idene)cyclo­penta­none

In the crystal of this bis-chalcone compound, the mol­ecules are linked via weak C—H⋯O hydrogen bonds, forming supra­molecular chains propagating along the [100] direction.

1-[({5-[(4-Methyl­phen­oxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfan­yl)meth­yl]-1H-benzo[d][1,2,3]triazole

The title mol­ecule adopts a cup-shaped conformation in the crystal with the planes of the two benzene rings and the benzotriazole units close to being parallel.

3-Hy­droxy-4-phenyl-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepin-2-one: cis isomer

In the title compound, the seven-membered benzodiazepine ring adopts a twist-boat conformation and the two aromatic rings are inclined to one another by 81.06 (15)°. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming chains propagating along the [10] direction.

N′-[(E)-4-Meth­oxy­benzyl­idene]-2-(4-methyl­phen­oxy)acetohydrazide

The title hydrazide compound crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the 4-meth­oxy­phenyl ring and the toluene ring is 88.13 (10)° in mol­ecule A and 61.47 (10)° in mol­ecule B. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming A–A and B–B inversion dimers with (8) ring motifs.

(10-Ethyl-10H-pheno­thia­zine-3,7-di­yl)bis­(p-tolyl­methanone)

The title pheno­thia­zine derivative crystallizes with two independent mol­ecules having similar conformations in the asymmetric unit. Both pheno­thia­zine units have a butterfly structure, with the dihedral angles between the planes of the benzene rings being 17.95 (13) and 12.65 (14)°.

Ethyl 8-amino-7-(furan-2-yl)-5,6-di­hydrothieno[2,3-b]benzo[h]quinoline-9-carboxyl­ate

The asymmetric unit of the title compound contains the two independent mol­ecules, which form a dimer via N—H⋯O hydrogen bonds.

7-Bromo-2,3-bis­[(prop-2-yn-1-yl)sulfan­yl]pyrido[2,3-b]pyrazine

The structure of the title pyrido[2,3-b]pyrazine is reported. Its crystal structure features offset π–π stacking inter­actions.

2,3-Di­bromo-3-phenyl­propanoic acid: a monoclinic polymorph

The structure of the monoclinic polymorph of the title compound is similar to that of the ortho­rhom­bic polymorph, and the aliphatic C atoms are also disordered. In the crystal, mol­ecules are linked by a pair of O—H⋯O hydrogen bonds, forming inversion dimers with an (8) ring motif.

4-(Benzo[d]thia­zol-2-yl)-N,N-di­methyl­aniline

The structure of 4-(benzo[d]thia­zol-2-yl)-N,N-di­methyl­aniline is stabilized by π–π contacts.