Di­aqua­tetra­kis­(di­methyl sulfoxide-κO)cobalt(II) bis­[diammine­tetra­kis­(thio­cyanato-κN)chromate(III)] di­methyl sulfoxide hexa­solvate dihydrate

The crystal structure of the novel Co/Cr heterometallic complex salt is reported. It was prepared by direct synthesis from cobalt metal and Reinecke's Salt.

Chlorido­bis­[2-(pyridin-2-yl-κN)benzo[b][1,5]naphthyridine-κN¹]copper(II) perchlorate aceto­nitrile disolvate

The crystal structure of the title complex shows a distorted trigonal–bipyramidal coordination environment of the copper(II) ion, formed by four N atoms from two pbn ligands and one Cl⁻ ion, as well as showing inter­molecular π–π stacking inter­actions.

Poly[tris­{μ-2-[(di­methyl­amino)­meth­yl]imidazolato-κ³N¹,N²:N³}(nitrato-κO)dizinc(II)]

The crystal structure of this coordination polymer comprises helical chains constructed from Zn^II ions and 2-[(di­methyl­amino)­meth­yl]imidazolate ligands.

Bis(μ-4-amino-N-oxidobenzamide)­bis­[(4-amino-N-oxidobenzamide)­aqua­cobalt] dihydrate

The mol­ecular and crystal structure of the centrosymmetric binuclear title complex is reported. The crystal structure features O—H⋯O, N—H⋯O, and N—H⋯N hydrogen bonds.

1-(Pyridin-4-yl)-3-(2,4,6-tri­chloro­phen­yl)benz[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one

The 13-membered ring system makes dihedral angles of 78.64 (9)° with the tri­chloro­phenyl ring and 62.60 (10)° with the pyridine ring. The crystal packing is dominated by π–π inter­actions between the fused ring systems.

Di­ethyl 2,2′-bi­pyridine-4,4′-di­carboxyl­ate

The title compound crystallized with two half mol­ecules in the asymmetric unit. The whole mol­ecules are generated by inversion symmetry. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming sheets parallel to (120).

4-Benz­yloxy-1-oxa­spiro­[4.6]undec-3-en-2-one

The structure of the title compound has a cyclo­heptane ring in a slightly distorted chair conformatiion with an angle of 57.13 (11)° between the five-membered ring and the benzene ring of the benz­yloxy group. The crystal structure features C—H⋯O and C—H⋯π contacts.

Diiso­propyl­ammonium 4-amino­benzene­sulfonate

The title mol­ecular salt is organized into a three-dimensional network structure through the 4-amino­benzene­sulfonate anions and diiso­propyl­ammonium cations, linked via a series of N—H⋯O hydrogen bonds.

(E)-3-(2,3-Di­meth­oxy­phen­yl)-1-(2-hy­droxy-5-meth­oxy­phen­yl)prop-2-en-1-one

In the chalcone derivative (E)-3-(2,3-di­meth­oxy­phen­yl)-1-(2-hy­droxy-5-meth­oxy­phen­yl)prop-2-en-1-one, the dihedral angle formed by the planes of the benzene rings is 29.6 (2)° and an intra­molecular O—H⋯O hydrogen bond closes an S(6) ring. Weak C—H⋯O hydrogen bonds link mol­ecules into chains propagating along [001].

(3Z)-5-Chloro-3-(hy­droxy­imino)­indolin-2-one

The crystal structure of 5-chloro­isatin 3-oxime is reported. The almost planar mol­ecules are connected by N—H⋯O inter­actions into dimers, graph-set motif (8), and by O—H⋯O inter­actions into chains with a C(6) motif. A two-dimensional hydrogen-bonded polymer along [100] can be assumed.

(S)-2-Aza­niumyl-2-methyl-3-phenyl­propano­ate monohydrate

The title compound is a non-natural amino acid based on the propyl­benzene group with a trans conformation, stabilized as a zwitterion inter­acting with a lattice water mol­ecule.

N-[1-Phenyl-2,5-bis­(tri­methyl­sil­yl)pent-2-en-4-yn-1-yl]aniline

The mol­ecular structure of the title compound, C₂₃H₃₁NSi₂, reveals an acyclic conjugated enyne unit as the main feature.

Methyl 2-phenyl­quinoline-4-carboxyl­ate

Two independent mol­ecules, differing in the rotational orientation of the phenyl ring, comprise the asymmetric unit. π–π stacking inter­actions between the heterocyclic rings form stacks of mol­ecules approximately parallel to the b axis.

1-(4-Nitro­phenyl)-2-({4-phenyl-5-[(p-tol­yloxy)meth­yl]-4H-1,2,4-triazol-3-yl}sulfan­yl)acetamide

In the crystal, pairs of N—H⋯N hydrogen bonds link adjacent mol­ecules, forming inversion dimers lying in the (010) plane and with (16) ring motifs.

3-Chloro-r-2,c-6-bis­(4-fluoro­phen­yl)-3-methyl­piperidin-4-one

The title compound contains one independent mol­ecule in the asymmetric unit with the piperidin-4-one ring, adopting a slightly distorted chair conformation and an equatorial orientation of all the substituents except chlorine.

(Z)-2-(4-{[(E)-2-Hy­droxy­benzyl­idene]amino}­phen­yl)-3-[4-(1,4,7,10-tetra­oxa-13-aza­cyclo­penta­decan-13-yl)phen­yl]acrylo­nitrile

The title compound, is an important fluorescence probe. It is composed of a 1,4,7,10-tetra­oxa-13λ²-aza­cyclo­penta­decane unit linked to a twisted (Z)-2-(4-{[(E)-2-hy­droxy­benzyl­idene]amino}­phen­yl)-3-phenyl­acrylo­nitrile chain. In the crystal, mol­ecules are linked by pairs of C—H⋯O hydrogen bonds, forming inversion dimers.

Benzene-1,2-diaminium bis­(hydrogen phospho­nate)

The synthesis and crystal structure of the title mol­ecular salt are reported.

(E)-4-Nitro-2-[(phenyl­imino)­meth­yl]phenol

In the title compound, the dihedral angle between the planes of the two aryl rings is 7.42 (10)°. An intra­molecular O—H⋯N hydrogen bond generates an S(6) ring. The crystal structure features C—H⋯O hydrogen bonds.

N,N′-Bis(pyrazin-2-ylmeth­yl)pyrazine-2,3-dicarb­oxamide

The mol­ecule of the title compound, which has three pyrazine rings linked by amide units, is V-shaped. Its crystal structure features N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds.

Ammonium hydrogen bis­[4-(2-phenyl-2H-tetra­zol-5-yl)benzoate]

The title compound is composed of an ammonium cation with a strong inter­molecular negatively charge-assisted hydrogen-bonded acid/conjugate base-pair monoanion.

2,4-Di­methyl­pyrido[1,2-a]pyrimidin-5-ium perchlorate

In the crystal of the title mol­ecular salt, C₁₀H₁₁N₂⁺·ClO₄⁻, the pyrido[1,2-a]pyrimidin-5-ium cations are linked via C—H⋯N hydrogen bonds, forming chains along [001].

3-(4-Chloro­phen­yl)-4-phenyl­thio­sydnone

In this sydnone derivative, mol­ecules are linked by C—H⋯Cl and C—H⋯S hydrogen bonds, as well as O⋯π and S⋯π inter­actions.

7,9-Dido­decyl-6-methyl-3H,7H,8H,9H,9aH-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-8-one

In the crystal, the dodecyl side chains inter­calate, forming a hydro­phobic region. The bicyclic cores form a more polar region in which weak pair-wise C—H⋯N hydrogen bonds and slipped π-stacking inter­actions form dimers across inversion centres.

2,5-Di­methyl­anilinium 4-hy­droxy­benzoate–2,5-di­methyl­aniline–4-hy­droxy­benzoic acid (1/1/1)

The title compound contains an ion pair as well as neutral carb­oxy­lic acid and amine mol­ecules. The components are connected by N—H⋯O, O—H⋯O and N—H⋯N hydrogen bonds, which generate (8), (20) and (24) loops.

Ethyl 4,6-di­methyl-3-oxo-2-phenyl-3,7-di­hydro-2H-pyrazolo­[3,4-b]pyridine-5-carboxyl­ate monohydrate

The dihedral angle between the 4,6-dimethyl-pyrazolo­[3,4-b]pyridine-3-one unit [maximum deviation = 0.048 (2) Å] and the phenyl ring is 5.1 (1)°. In the crystal, the organic mol­ecules and lattice water mol­ecules are linked via O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds. The mol­ecules are also linked by C—H⋯π and weak offset π–π stacking inter­actions, forming sheets parallel to (001).

3-[5-(Pyridin-4-yl)-1,3,4-oxa­diazol-2-yl]-4H-chromen-4-one

In the crystal structure of the title compound, the plane of oxa­diazole ring is almost coplanar with the attached pyridine ring and chromenyl ring system.

Creatinium 4-methyl­benzene­sulfonate

In creatinium 4-methyl­benzene­sulfonate, the OH group of the carb­oxy­lic acid and central N atom of the cation are close to being eclipsed. In the crystal, C—H⋯·O, O—H⋯O and N—H⋯O hydrogen bonds link the components into (001) sheets.

(E)-N′-Benzyl­idene-2-phenyl­quinoline-4-carbo­hydrazide

The quinoline moiety in the title compound is slightly twisted while the benzyl­idene and phenyl rings are markedly rotated out of the plane of the heterocyclic ring system. In the crystal, mol­ecules are linked by N—H⋯O and C—H⋯O hydrogen bonds, forming chains propagating along [001].

4,4′-[(1E,1′E)-(2-Chloro­pyrimidine-4,6-di­yl)bis­(ethene-2,1-di­yl)]bis­(N,N-di­ethyl­aniline)

The pyrimidine ring is twisted with respect to the two benzene rings by 13.56 (19) and 23.1 (2)°.

Ethyl (naphthalen-2-yl­oxy)acetate

The title mol­ecule is approximately planar, the dihedral angle between the naphthyl ring system and the side chain is 9.00 (14)°, and the eth­oxy chain adopts an extended conformation [C—O—C—C = 176.0 (3)°].

[(Di­methyl­amino)­meth­yl]di­methyl­aza­nium bis­(tri­fluoro­methane­sulfon­yl)amide

The title mol­ecular salt, was obtained by a proton-transfer reaction between bis­(tri­fluoro­methane­sulfon­yl)amine and bis­(di­methyl­amino)­methane.

4-[(4-Hy­droxy­methyl-2H-1,2,3-triazol-2-yl)methyl]-6,8-di­methyl-2H-chromen-2-one

In the title compound, the triazole ring is inclined to the coumarin ring system by 78.53 (8)°. Inversion dimers linked by pairs of O—H⋯O hydrogen bonds occur in the crystal.

Zwitterionic 4-carb­oxy-2-(pyridinium-2-yl)-1H-imidazole-5-carboxyl­ate

In the zwitterionic title compound, the pyridine ring is close to coplanar with the imidazole ring; this conformation maintained by the presence of an intra­molecular O—H⋯O hydrogen bond. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules, giving a one-dimensional supra­molecular structure extending along the b-axis direction.

3H-1,2-Benzodi­thiole-3-thione

The almost planar mol­ecule of 3H-1,2-benzodi­thiole-3-thione was synthesized by reacting 2,2-di­thiodi­benzoic acid with phospho­rus penta­sulfide in xylene solution. In the crystal, short S⋯S contacts and aromatic π–π stacking are observed.

2-Oxo-2H-chromen-3-yl 4-tert-butyl­benzoate

In this coumarin derivative, the benzoate group is oriented at a dihedral angle of 57.55 (9)° to the planar chromene ring. In the crystal, inversion-related mol­ecules are linked into dimers via a pair of C—H⋯O hydrogen bonds, generating (12) loops.

5,31-Di­aza-2,8,15,18,21,28,34,41,44,47-deca­oxahepta­cyclo­[46.4.0.0^4,32.0^6,30.0^9,14.0^22,27.0^35,40]do­penta­conta-1(48),4,6(30),9(14),10,12,22(27),23,25,31,35(40),36,38,49,51-penta­deca­ene monohydrate

In the title bis-crown ether hydrate, one crown moiety serves as host for a guest water mol­ecule, inter­acting via four hydrogen bonds.

(E)-N′-[4-(Di­methyl­amino)­benzyl­idene]propiono­hydrazide monohydrate

The title hydrazine compound, crystallized as a monohydrate and has an E conformation about the C=N bond. In the crystal, mol­ecules are bridge via N—H⋯O and O—H⋯O hydrogen bonds, involving the water mol­ecule, forming sheets parallel to the bc plane.

2-(2-Iso­propyl­phen­oxy)acetic acid

In the title phen­oxy acetic acid derivative, the pendant –OCH₂COOH chain is in an extended conformation and almost lies in the plane of the benzene ring, as indicated by the dihedral angle of 2.61 (5)°. In the crystal, mol­ecules are linked by a pair of O—H⋯O hydrogen bonds, forming classical carb­oxy­lic acid inversion dimers.

5-Meth­oxy-2-{[(4-meth­oxy-3,5-di­methyl­pyridin-2-yl)meth­yl)]sulfin­yl}-1-(prop-2-yn-1-yl)-1H-benzimidazole

In the title omeprazole derivative, the benzimidazole ring is inclined to the pyridine ring by 21.21 (8)°. In the crystal, neighbouring mol­ecules are linked by C—H⋯O hydrogen bonds, forming chains along the a-axis direction.

1-(2′-Eth­oxy-4′-fluoro-[1,1′-biphen­yl]-4-yl)-4-phenyl-1H-1,2,3-triazole

In the title compound, the triazole ring is planar. The plane of the triazole ring is not coplanar with the planes of the benzene rings. No classical hydrogen bonds were observed in the structure.

(E)-4-(Benzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl­idene)aniline hemihydrate

The title benzo­thia­zole derivative is relatively planar, with the dihedral angles between the central benzene ring and the benzo­thia­zole (r.m.s. deviation = 0.012 Å) and pyridine rings being 3.57 (6) and 10.12 (8)°, respectively.

(E)-4-({[4-(Benzo[d]thia­zol-2-yl)phen­yl]imino}­meth­yl)-N,N-di­ethyl­aniline

The title benzo­thia­zole derivative is almost planar, with the central benzene ring being inclined to the benzo­thia­zole ring and the di­ethyl­aniline ring by 4.05 (13) and 5.05 (13)°, respectively.

6-tert-Butyl-4-[(4-hy­droxy­methyl-2H-1,2,3-triazol-2-yl)meth­yl]-2H-chromen-2-one

In the title compound, the triazole ring is inclined to the chromene ring system by 73.2 (1)°. In the crystal, mol­ecules are linked by O—H⋯N and C—H⋯O hydrogen bonds and C—H⋯π and π–π inter­actions, forming a three-dimensional framework.

2,5-Bis[(di­methyl­amino)­methyl]-1H-pyrrole

The asymmetric unit contains two independent mol­ecules which are linked into dimers by two intra­molecular N_pyrrole—H⋯N_amine hydrogen bonds.

1-[(E)-(3-Hy­droxy-4-meth­oxy­benzyl­idene)amino]-3-methyl­thio­urea

The title compound is not completely planar with the dihedral angle between the benzene and side-arm being 17.4 (4)°. The key feature of the mol­ecular packing is the formation of centrosymmetric leading to dimeric aggregates.