Ranitidine hydro­chloride,a polymorphic crystal form

In the title compound, di­methyl­({5‐[2‐(1‐methyl­amino‐2‐nitro­eth­enyl­amino)­ethyl­thio­methyl]‐2‐furyl}­methyl)­ammon­ium chloride, C₁₃H₂₃N₄O₃S⁺·­Cl^?, protonation occurs at the di­methyl­amino N atom. The ranitidine mol­ecule adopts an eclipsed conformation. Bond lengths indicate extensive electron delocalization in the N,N′‐di­methyl‐2‐nitro‐1,1‐ethenedi­amine system of the mol­ecule. The nitro and methyl­amino groups are trans across the side chain C=C double bond, while the ethyl­amino and nitro groups are cis. The Cl^? ions link mol­ecules through hydrogen bonds.     

Ropinirole hydro­chloride,a dopamine agonist

Ropinirole hydro­chloride, or diethyl[2‐(2‐oxo‐2,3‐dihydro‐1H‐indol‐4‐yl)ethyl]ammonium chloride, C₁₆H₂₅N₂O⁺·Cl⁻, belongs to a class of new non‐ergoline dopamine agonists which bind specifically to D2‐like receptors with a selectivity similar to that of dopamine (D3 > D2 > D4). The N atom in the ethyl­amine side chain is protonated and there is a hydrogen bond between it and the Cl⁻ ion. In the crystal structure, two cations and two anions form inversion‐related cyclic dimers via N—H⋯Cl hydrogen bonds.     

l‐Methioninium chloride and l‐seleno­methioninium chloride at 103 K

The crystal structures of the title compounds, (S)‐1‐carboxy‐3‐(methyl­sulfanyl)­propanaminium chloride, C₅H₁₂NO₂S⁺·Cl⁻, and (S)‐1‐carboxy‐3‐(methyl­selanyl)­propanaminium chloride, C₅H₁₂NO₂Se⁺·Cl⁻, are isomorphous. The proton­ated l ‐methionine and l ‐seleno­methionine mol­ecules have almost identical conformations and create very similar contacts with the Cl⁻ anions in the crystal structures of both compounds. The amino acid cations and the Cl⁻ anions are linked viaN—H⋯Cl⁻ and O—H⋯Cl⁻ hydrogen bonds.     

[N,N′‐Bis(3‐aminopropyl)ethylenediamine‐κ4N,N′,N′′,N′′′](trithiocyanurato‐κ2N,S)zinc(II) ethanol solvate

In the crystal structure of the title compound, [N,N′‐bis(3‐­amino­propyl)­ethyl­enedi­amine‐κ⁴N,N′,N′′,N′′′][1,3,5‐triazine‐2,4,6(1H,3H,5H)‐tri­thionato(2−)‐κ²N,S]­zinc(II) ethanol sol­vate, [Zn(C₈H₂₂N₄)₂(C₃HN₃S₃)]·C₂H₆O, the Zn^II atom is octa­hedrally coordinated by four N atoms [Zn—N = 2.104 (2)–2.203 (2) Å] of a tetradentate N‐donor N,N′‐bis(3‐­amino­propyl)­ethyl­enedi­amine (bapen) ligand and by two S and N atoms [Zn—S = 2.5700 (7) Å and Zn—N = 2.313 (2) Å] of a tri­thio­cyanurate(2−) (ttcH²⁻) dianion bonded as a bidentate ligand in a cis configuration. The crystal structure of the compound is stabilized by a network of hydrogen bonds.     

{3,3′‐[2,2′‐(Ethylenedioxy)dibenzyl­idene]bis(S‐methyl dithiocarbazate)}­nickel(II)

The tetradentate N₂S₂ Schiff base ligand 3,3′‐[2,2′‐(ethyl­ene­di­oxy)di­benzyl­idene]­bis­(S‐methyl di­thio­car­ba­zate) (H₂L), prepared by the condensation of S‐methyl di­thio­carb­aza­te with 1,4‐bis(2‐formyl­phenyl)‐1,4‐dioxa­butane in a 1:2 molar ratio, reacts with nickel acetate to form the title neutral metal complex, [Ni(C₂₀H₂₀N₄O₂S₄)]. The X‐ray structure of the complex shows a distorted square‐planar geometry around the Ni atom. The monomeric units are weakly associated into dimers via a long Ni?S interaction [3.569 (1) Å]. These dimeric units are then linked by C—H?S intermolecular contacts to form a polymeric chain along the a axis.     

1‐(2‐{4‐[6‐Hydro­xy‐2‐(4‐hydroxy­phenyl)­benzo­[b]­thiol‐3‐yl­carbonyl]­phenoxy}ethyl)­piperidinium chloride

The title compound, raloxifene hydro­chloride, C₂₈H₂₈NO₄S⁺·Cl^?, belongs to the benzo­thio­phene class of antiosteoporotic drugs. In the molecular cation, the 2‐phenol ring sustains a dihedral angle of 45.3 (1)° relative to the benzo­[b]­thio­phene system. The benzo­[b]­thio­phene and phenyl ring planes are twisted with respect to the carbonyl plane, with the smallest twist component occurring between the phenyl and carbonyl planes. The N atom bears the positive charge in the molecular cation and the piperidine ring adopts an almost perfect chair conformation. The Cl^? anion is involved in the formation of N—H?Cl and O—H?Cl intermolecular hydrogen bonds, which lead to the formation of a layer of molecular cations.     

The anilinium chloride adduct of 4‐bromo‐N‐phenylbenzene­sulfonamide

The title compound anilinium chloride–4‐bromo‐N‐phenyl­benzene­sulfonamide (1/1), C₆H₈N⁺·Cl⁻·C₁₂H₁₀BrNO₂S, displays a hydrogen‐bonded ladder motif with four independent N—H⋯Cl bonds in which both the NH group of the sulfonamide molecule and the NH₃ group of the anilinium ion [N⋯Cl = 3.135 (3)–3.196 (2) Å and N—H⋯Cl = 151–167°] are involved. This hydrogen‐bonded chain contains two independent R₄²(8) rings and each chloride ion acts as an acceptor of four hydrogen bonds.     

Comparison of the methyl ester of l‐tyrosine hydrochloride and its methanol monosolvate

Solvent‐free (2S)‐methyl 2‐ammonio‐3‐(4‐hydroxy­phenyl)­propionate chloride, C₁₀H₁₄NO₃⁺·Cl⁻, (I), and its methanol solvate, C₁₀H₁₄NO₃⁺·Cl⁻·CH₃OH, (II), are obtained from different solvents: crystallization from ethanol or propan‐2‐ol gives the same solvent‐free crystals of (I) in both cases, while crystals of (II) were obtained by crystallization from methanol. The structure of (I) is characterized by the presence of two‐dimensional layers linked together by N—H⋯Cl and O—H⋯Cl hydrogen bonds and also by C—H⋯O contacts. Incorporation of the methanol solvent mol­ecule in (II) introduces additional O—H⋯O hydrogen bonds linking the two‐dimensional layers, resulting in the formation of a three‐dimensional network.     

Chlorotris(N,N′‐dicyclohexylthiourea‐S)tellurium(II) chloride,a tellurium complex with a TeClS3 coordination sphere

During the synthesis of a series of square‐planar [TeCl₂(stu)₂] complexes, where stu represents bulky di‐ or tetrasubstituted thio­ureas, the title compound, [TeCl{(C₆H₁₁NH)₂CS}₃]Cl or C₃₉H₇₂ClN₆S₃Te⁺·Cl^?, was the unexpected result when stu was N,N′‐di­cyclo­hexyl­thio­urea. The complex is square planar, with Te—S distances of 2.5803 (4), 2.6211 (4) and 2.8214 (4) Å, and a Te—Cl distance of 2.6485 (4) Å, indicating a small trans influence of the thio­urea ligand.     

Chloro­(hist­amine)(1,10‐phenanthro­line)copper(II) chloride monohydrate

In the cationic complex present in the title compound, chloro­[2‐(4‐imidazolyl‐κN¹)­ethyl­amine‐κN](1,10‐phenanthroline‐κ²N,N′)copper(II) chloride monohydrate, [CuCl(C₅H₉­N₃)­(C₁₂H₈N₂)]Cl·H₂O, the metal centre adopts a five‐coordinate geometry, ligated by the two phenanthroline N atoms, two amine N atoms of the hist­amine ligand (one aliphatic and one from the imidazole ring) and a chloro ligand. The geometry around the Cu atom is a distorted compressed trigonal bipyramid, with one phenanthroline N and one imidazole N atom in the axial positions, and the other phenanthroline N atom, the histamine amine N atom and the chloro ligand in the equatorial positions. The structure includes an uncoordinated water mol­ecule, and a Cl⁻ ion to complete the charge. The water mol­ecule is hydrogen bonded to both Cl⁻ ions (coordinated and uncoordinated), and exhibits a close Cu⋯H contact in the equatorial plane of the bipyramid.     

Betainohydroxamic acid chloride

The title compound, N‐hydroxy‐2‐(tri­methyl­ammonio)­acet­amide chloride, C₅H₁₃N₂O₂⁺·Cl⁻, has been synthesized and structurally characterized. The structure consists of betaino­hydroxamic acid cations and Cl⁻ anions linked by N—H⋯Cl and O—H⋯Cl hydrogen bonds into chains along [001]. It was found that the positive inductive effect of the charged N atom in close proximity to the hydroxamate carbonyl O atom has a negligible effect on the hydroxamic C—N bond length.     

Sodium thio­phenolate N,N,N′,N′-tetra­methyl­ethyl­enedi­amine

The title compound, Na⁺·C₆H₅S⁻·C₆H₁₆N₂, forms lipophilically wrapped infinite sodium chains along the a axis. Each sodium cation is coordinated by three thio­phenolate S atoms and two N centres of one tetra­methyl­ethyl­enedi­amine molecule.     

Di‐μ‐chloro‐bis({2‐[N,N‐bis(2‐aminoethyl)amino‐κ3N]ethylaminium}copper(II)) bis(naphthalene‐1,5‐disulfonate) pentahydrate

The title compound, [Cu₂(C₆H₁₉N₄)₂Cl₂](C₁₀H₆O₆S₂)₂·5H₂O, is comprised of discrete [Cu₂(tren)₂Cl₂]²⁺ dimers {tren is 2‐[N,N‐bis(2‐amino­ethyl)­amino]­ethyl­aminium} and naphthalene‐1,5‐di­sulfonate anions. Two Cl^? anions bridge two Cu^II ions, each of which is also coordinated by two of the primary and the tertiary amino N atoms of the tren ligand, giving each metal atom a distorted square‐pyramidal coordination geometry. The cation lies about an inversion centre and the asymmetric unit also has two independent anions lying about inversion centres.     

Chlorobis[N′‐ethoxycarbonyl‐N‐(4‐methylphenyl)thiourea‐κS]copper(I)

The title complex, chloro­bis{ethyl N‐[(4‐methyl­anilino)­thio­carbonyl]­carbamate‐κS}copper(I), [CuCl(C₁₁H₁₄N₂O₂S)₂], was synthesized by the reaction of cupric chloride with the corresponding thio­urea derivative. The complex has imposed crystallographic m symmetry and the Cu^I coordination environment is trigonal planar, formed by two S atoms and one Cl atom. The formation of intramolecular hydrogen bonds promotes the stability of the complex.     

Tetrakis(3,4‐ethylenedioxy‐2‐thienyl)silane carbon tetrachloride solvate

The structure of tetrakis(3,4‐ethyl­ene­dioxy‐2‐thienyl)­silane carbon tetrachloride solvate, Si(C₆H₅O₂S)₄·CCl₄, has been determined in the noncentrosymmetric space group I. The Si and C atoms of the CCl₄ are located on the fourfold inversion axes. The Si atom has a tetrahedral geometry. The thio­phene ring in the 3,4‐ethyl­ene­dioxy­thio­phene group is nearly planar to within 0.005 Å, and the ethyl­ene­dioxy moiety is in a half‐chair conformation.     

Transition metal complexes with thio­semicarbazide‐based ligands. XV. A square‐pyramidal NiII complex with an asymmetric coordination of 2,6‐di­acetyl­pyridine bis(S‐methyl­iso­thio­semicarbazone)

The title compound, [di­acetyl­pyridine bis(S‐methyl­iso­thio­semicarbazonato)]­iodo­nickel(II), [Ni(C₁₃H₁₈N₇S₂)I], is the first example of a complex involving the ²N coordination of the iso­thio­semicarbazide moiety. 2,6‐Di­acetyl­pyridine bis(S‐methyl­iso­thio­semicarbazone), as a potentially pentadentate ligand (N₅), is coordinated as a tetradentate species, whereby one (deprotonated) iso­thio­semicarbazide moiety is coordinated in the usual way (¹N⁴N), but the other (neutral) is bonded via the ²N atom only, the fourth ligator being the pyridine nitro­gen. The difference in coordination mode of the iso­thio­semicarbazide moiety is reflected in the ¹N—²N bond lengths of 1.359 (4) and 1.379 (3) Å in the deprotonated and undeprotonated moieties, respectively. The structure contains three fused chelate rings in a 5:5:6 arrangement. The six‐membered ring has a non‐planar conformation.     

N‐Ethylpyridinium bis(2‐thioxo‐1,3‐dithiole‐4,5‐dithiolato)nickelate

The title compound, (C₇H₁₀N)[Ni(C₃S₅)₂] or (Etpy)[Ni(dmit)₂] (where Etpy is the N‐ethyl­pyridinium cation, C₇H₁₀N⁺, and dmit is the 2‐thio­xo‐1,3‐di­thiole‐4,5‐di­thiol­ate dianion, C₃S₅²⁻), crystallizes in the P space group with two mol­ecules in the asymmetric unit. The [Ni(dmit)₂]⁻ monoanion has a planar D_2h conformation, with the central Ni atom and the four coordinated S atoms forming an NiS₄ square plane. The six‐membered ring of the Etpy cation also shows good planarity, as expected. There are two main types of disorder in the two Etpy cations. Several short intermolecular interactions are present, such as S⋯S, Ni⋯S and Ni⋯Ni, which help to form the enhanced three‐dimensional structure of the crystal.     

Bis(1,10‐phenanthroline)(thio­sulfato)­manganese(II) methanol solvate and catena‐poly­[[di­aqua(2,9‐di­methyl‐1,10‐phenanthroline)­manganese(II)]‐μ‐thio­sulfato]

The structure of bis(1,10‐phenanthroline‐κ²N,N′)(thio­sulfato‐κ²O:S)­manganese(II) methanol solvate, [Mn(S₂O₃)(C₁₂H₈N₂)₂]·CH₃OH, is made up of Mn²⁺ centers coordinated to two bidentate phenanthroline (phen) groups and an S,O‐chelating thio­sulfate anion, forming monomeric entities. The structure of catena‐poly­[[di­aqua(2,9‐di­methyl‐1,10‐phen­anthro­line‐κ²N,N′)­manganese(II)]‐μ‐thio­sulfato‐κ²O:S], [Mn(S₂O₃)(C₁₄H₁₂N₂)(H₂O)₂]_n, is polymeric, consisting of Mn(dmph)(H₂O)₂ units (dmph is 2,9‐di­methyl‐1,10‐phenanthroline) linked by thio­sulfate anions acting in an S,O‐chelating manner.     

Bis­(ethyl­enedi­amine)copper(II) bis(O,O′‐diethyl di­thio­phosphate)

In the structure of the title compound, [Cu^II­(en)₂][(EtO)₂P(S)S]₂ (en is ethyl­ene­di­amine) or [Cu(C₂H₈N₂)₂](C₄H₁₀O₂PS₂)₂, the Cu atom lies on a center of inversion and is coordinated in a slightly distorted square coordination geometry by four N atoms from two ethyl­enedi­amine mol­ecules. The diethyl di­thio­phosphate moieties, (EtO)₂P(S)S^?, act as counter‐anions.     

catena‐Poly[potassium [copper(II)‐μ‐isothiocyanato‐μ‐N‐salicylidene‐β‐alaninato(2–)]]

The title polymeric compound, catena‐poly­[dipotassium [bis­[μ‐N‐salicyl­idene‐β‐alaninato(2−)]‐κ⁴O,N,O′:O′′;κ⁴O′′:O,N,O′‐dicopper(II)]‐di‐μ‐iso­thio­cyanato‐κ²N:S;κ²S:N], {K[Cu(NCS)(C₁₀H₉NO₃)]}_n, consists of [iso­thio­cyanato(N‐salicyl­idene‐β‐alaninato)copper(II)]⁻ anions connected through the two three‐atom thio­cyanate (μ‐NCS) and the two anti,anti‐μ‐­carboxyl­ate bridges into infinite one‐dimensional polymeric anions, with coulombically interacting K⁺ counter‐ions with coordination number 7 constrained between the chains. The Cu^II atoms adopt a distorted tetragonal–bipyramidal coordination, with three donor atoms of the tridentate Schiff base and one N atom of the bridging μ‐NCS ligand in the basal plane. The first axial position is occupied by a thio­cyanate S atom of a symmetry‐related μ‐NCS ligand at an apical distance of 2.9770 (8) Å, and the second position is occupied by an O atom of a bridging carboxyl­ate group from an adjacent coordination unit at a distance of 2.639 (2) Å.