9‐(Tri­chloro­acetyl­imino)­acridine monohydrate

The title compound, alternatively called N‐acridin‐9(10H)‐yl­idene‐2,2,2‐tri­chloro­acet­amide mono­hydrate, C₁₅H₉Cl₃N₂O·H₂O, crystallizes in space group P2₁/c with Z = 4. The acridine moieties are arranged in layers, tilted at an angle of 15.20 (4)° relative to the ac plane, while adjacent mol­ecules pack in a head‐to‐tail manner. Acridine and water mol­ecules form columns along the b axis held in place by a network of hydrogen bonds, which is the major factor stabilizing the lattice. The acridine mol­ecule exhibits structural features of both the amino and imino forms, which could be due to the presence of the strong electronegative tri­chloro­acetyl substituent at the exocyclic N atom.     

4‐Chloro­aceto­phenone [1‐(4‐methoxyphenyl)­ethyl­idene]­hydra­zone

The crystal structure of the title mixed azine, C₁₇H₁₇ClN₂O, contains four independent mol­ecules, A–D, and mol­ecule B is disordered. All four mol­ecules have an N—N gauche conformation, with C—N—N—C torsion angles of 136.5 (4), 137.0 (4), ?134.7 (4) and ?134.7 (4)°, respectively. The phenyl rings are also somewhat twisted with respect to the plane defined by C_ipso and the imine bond. On average, the combined effect of these twists results in an angle of 64.7° between the best planes of the two phenyl rings. Arene–arene double T‐contacts are the dominant intermolecular inter­action. The methoxy‐substituted phenyl ring of one azine mol­ecule interacts to form a T‐contact with the methoxy‐substituted phenyl ring of an adjacent mol­ecule and, similarly, two chloro‐substituted phenyl rings of neighboring mol­ecules interact to form another T‐contact. The only exception is for mol­ecule B, for which the disorder leads to the formation of T‐­contacts between methoxy‐ and chloro‐substituted phenyl rings. The prevailing structural motif of T‐contact formation between like‐substituted arene rings results in a highly dipole‐parallel‐aligned crystal structure.     

6‐(2‐Chloro­acetamido)­hexa­noic acid

Crystals of the title compound, C₈H₁₄ClNO₃, belong to the space group Cc and are characterized by an asymmetric unit containing two mol­ecules, both with a twisted conformation. The mol­ecular packing is stabilized by N—H⋯O=C hydrogen bonds between the amide groups of mol­ecules with the same conformation. In addition, hydrogen‐bonded cyclic carboxylic acid dimers are established between mol­ecules with a different conformation. The ClCH₂—CONH bond has a cis conformation in order to favour an intra­molecular Cl⋯HN electrostatic inter­action. Weak intra‐ and inter­molecular CH₂⋯O=C inter­actions are also present.     

Tris(ethyl­ene­diamine)­nickel(II) bis­[2‐cyano‐2‐(oxidoimino)­acetamidato]­nickelate(II) monohydrate

The title compound, [Ni(C₂H₈N₂)₃][Ni(C₃HN₃O₂)₂]·H₂O, appears to be a modular associate consisting of two complex counter‐ions, containing bivalent nickel as the central atom in both cases, and a solvent water mol­ecule. The Ni^II ion in the complex cation lies on the C₂ crystallographic axis. Its coordination environment is formed by six N atoms of three ethyl­ene­diamine (en) mol­ecules, representing a distorted octa­hedral geometry. The Ni^II ion in the complex anion occupies a position at the center of inversion. It exhibits a distorted square‐planar coordination geometry formed by four N atoms belonging to the deprotonated oxidoimine and amide groups of the two doubly charged 2‐cyano‐2‐(oxidoimino)acetamidate anions, situated in trans positions with respect to each other. In the crystal packing, the complex anions are linked by water mol­ecules via hydrogen bonds between the amide O atoms and water H atoms, forming chains translated along the a direction. The [Ni(en)₃]²⁺ cations fill empty spaces between the translational chains, connecting them by hydrogen bonds between the oxime and amide O atoms of the anions and the amine H atoms of the cations, forming layers along the ac plane. The water mol­ecules provide connection between layers through N atoms of the cations, thus forming a three‐dimensional modular structure.     

2‐Amino‐6‐chloro‐4‐(1‐phenyl­ethyl­amino)­pyrimidine

The structure of the title compound, C₁₂H₁₃ClN₄, (I), comprises a racemic mixture of chiral mol­ecules associated by N—H?N hydrogen‐bonding interactions. The dihedral angle between the two rings is 77.90 (6)°.     

Tris­[2‐(benzoyl­amino)­ethyl]­amine

Tris­[2‐(benzoyl­amino)­ethyl]­amine [alternatively, N,N′,N′′‐(nitrilo­tri­ethyl)­tri­benz­amide], C₂₇H₃₀N₄O₃, adopts a folded structure, forming a symmetrical cavity with an average depth of 7.3 Å and width ranging from 4.1–4.4 Å. The folded structure is a result of one intramolecular N—H?O hydrogen bond. A linear chain motif along the c axis best describes the extended intermolecular N—H?O hydrogen bonding.     

N,N′‐Bis­[1‐(pyrazin‐2‐yl)­ethyl­idene]­hydrazine

Molecules of the title compound, C₁₂H₁₂N₆, contain both a di­imine linkage and an N—N bond, and assume a planar structure. The compound lies about an inversion centre and there are three intramolecular C—H⋯N hydrogen bonds.     

Amarisolide monohydrate,a 2‐(β‐glu­cosyl)­neoclerodane

The absolute configuration of the neoclerodane glycoside amarisolide, presented here as the monohydrate, C₂₆H₃₆O₉·H₂O, has been determined by association with the known configuration of the glucose moiety. Its structure was established as 2β‐(O‐β‐d ‐gluco­pyran­osyl)­neocleroda‐3,13(16),14‐trien‐15,16‐epoxy‐18,19‐olide. Extensive hydrogen bonding among the hydroxyl groups of the sugar moiety forms layers which are interconnected by water mol­ecules.     

Two rhod­amine derivatives: 9‐[2‐(ethoxycarbonyl)phenyl]‐3,6‐bis(ethyl­amino)‐2,7‐di­methyl­xanthyl­ium chloride monohydrate and 3,6‐di­amino‐9‐[2‐(methoxy­carbonyl)­phenyl]xanthyl­ium chloride trihydrate

The title compounds, C₂₈H₃₁N₂O₃⁺·Cl^?·H₂O (common name rhod­amine‐6g), (I), and C₂₁H₁₇N₂O₃⁺·Cl^?·3H₂O (common name rhod­amine‐123), (II), both have planar xanthene skeletons with a formal +1 charge on the amino N atoms delocalized through the π‐electron system so that the N—Csp² bond distances indicate significant double‐bond character. The substituted planar phenyl groups make angles of 63.29 (8) and 87.96 (11)° with the xanthene planes in (I) and (II), respectively. In both mol­ecules, the carbonyl bond vectors point toward the xanthene rings. The ethyl­amine groups in (I) are oriented similarly with their CH₂–CH₃ bond vectors pointing nearly perpendicular to the xanthene plane. The chloride ions and water mol­ecules are disordered in both structures. In (I), the chloride ion and water mol­ecule are disordered between two sites. One water and chloride alternately occupy the same site with occupancy factors of 0.5. The other 0.5‐chloride and 0.5‐water occupy two distinct positions separated by 0.747 (8) Å. In (II), the chloride ion is disordered between three sites and one of the waters is disordered about two other sites. Both crystal structures are stabilized by hydrogen bonds involving the chloride ions, amino groups and water mol­ecules, as well as by π–π stacking between xanthene planes.     

1‐[(4‐Chloro­benzoyl)­methyl]‐4‐(N,N‐di­methyl­amino)­pyridinium bromide sesquihydrate and 1‐[(4‐bromo­benzoyl)­methyl]‐4‐(N,N‐di­methyl­amino)­pyridinium bromide sesquihydrate

The title compounds, C₁₅H₁₆ClN₂O⁺·Br⁻·1.5H₂O and C₁₅H₁₆BrN₂O⁺·Br⁻·1.5H₂O, are isomorphous. The benzene ring is oriented nearly normal to the pyridine ring in both compounds. The molecular packing is mainly influenced by intermolecular O—H⋯O and O—H⋯Br interactions, as well as weak intramolecular C—H⋯O interactions. The H₂OBr⁻ units form an extended water–bromide chain, with a bridging water mol­ecule on a twofold axis.     

1‐(4‐Chloro­phenyl­sulfanyl)‐2‐nitro‐4‐(tri­fluoro­methyl)­benzene and 1‐(4‐chloro­phenyl­sulfanyl)‐4‐nitro‐2‐(tri­fluoro­methyl)­benzene

Two chemical isomers of 3‐nitro­benzotrifluoride, namely 1‐(4‐chloro­phenyl­sulfanyl)‐2‐nitro‐4‐(tri­fluoro­methyl)­benzene, C₁₃H₇ClF₃NO₂S, (I), and 1‐(4‐chloro­phenyl­sulfanyl)‐4‐nitro‐2‐(tri­fluoro­methyl)­benzene, C₁₃H₇ClF₃NO₂S, (II), have been prepared and their crystal structures determined with the specific purpose of forming a cocrystal of the two. The two compounds display a similar conformation, with dihedral angles between the benzene rings of 83.1 (1) and 76.2 (1)°, respectively, but (I) packs in P while (II) packs in P2₁/c, with C—H⋯O interactions. No cocrystal could be formed, and it is suggested that the C—H⋯O associations in (II) prevent intermolecular mixing and promote phase separation.     

2‐[Benzoyl­(hydroxy­imino)­methyl­amino]­benzoic acid

The structure of the title compound, C₁₅H₁₂N₂O₄, consists of a polymeric arrangement, around inversion centres, of mol­ecules linked through O—H⋯N and O—H⋯O hydrogen bonds; there are also intramolecular hydrogen bonds. All these hydrogen‐bond interactions result in the formation of infinite chains parallel to the [010] direction. The oxime group has an E conformation.     

4‐Fluoro‐2‐(phospho­no­methyl)­benzene­sulfonic acid monohydrate

The title compound, C₇H₈FO₆PS·H₂O, contains both phospho­nic and sulfonic acid functionalities. An extensive network of O—H?O hydrogen bonds is present in the crystal structure. The three acidic protons are associated with the phospho­nate group. Two protons experience typical hydrogen‐bond contacts with the sulfonate‐O atoms, while the third has a longer covalent bond of 1.05 (3) Å to the phospho­nate‐O atom and a short hydrogen‐bond contact of 1.38 (3) Å to the water O atom (all O—H?O angles are in the range 162–175°). The sulfonate group is positioned so that one S—O bond is nearly coplanar with the phenyl ring [torsion angle O—S—C—C ?8.6 (2)°]. The phospho­nate group is oriented approximately perpendicular to the ring [torsion angle P—C—C—C 99.2 (2)°] with one P—O bond anti to the benzyl C—C bond. The mol­ecules pack in layers in the b–c plane with the water mol­ecules in between adjacent pairs of inverted layers.     

trans‐Chloro­(methyl)­bis­(tri­cyclo­hexyl­phosphine)­platinum(II)

The crystal structure of the title compound, [PtCl(CH₃)(C₁₈H₃₃P)₂], is isostructural with various platinum(II) and palladium(II) complexes containing two bulky tri­cyclo­hexyl­phosphine ligands in a trans orientation. The Pt atom resides on an inversion centre, resulting in a 50% statistical disorder in the chloro and methyl positions. The most significant geometrical parameters are Pt—P 2.3431 (8), Pt—­Cl 2.440 (4) and Pt—C1 2.179 (13) Å, and P—Pt—P 180, P—Pt—Cl 89.15 (12) and 90.85 (12), and C—Pt—Cl 172.7 (5)°. The effective and Tolman cone angles for the tricyclohexylphosphine ligands were calculated as 160 and 162°, respectively.     

trans‐Chloro­bis­(ethyl­enedi­amine‐N,N′)­nitro­cobalt(III) nitrate

In the title compound, trans‐[CoCl(NO₂)(C₂H₈N₂)₂]NO₃, a distorted octahedral Co^III complex shows an orientational disorder such that the positions of the nitro and chloro ligands are exchanged. The occupation factors of the major and minor orientations are 84 and 16%, respectively. The O atoms of the nitrate ion are disordered over two sites.     

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.     

trans‐Chloro­bis­(ethyl­enedi­amine‐N,N′)­nitro­cobalt(III) perchlorate

In the title compound, trans‐[CoCl(NO₂)(C₂H₈N₂)₂]ClO₄, there are two independent Co^III complexes with a distorted octahedral coordination, and they show an orientational disorder such that the positions of the nitro and chloro ligands are exchanged. As a result, the averaged structure has inversion centres at the Co atoms. The perchlorate‐O atoms are disordered over two sites.     

4,6‐Bis­(methyl­sulfanyl)‐1‐(4‐phenoxy­butyl)‐1H‐pyrazolo­[3,4‐d]­pyrimidine

The molecular structure of the title compound, C₁₇H₂₀N₄OS₂, does not show any intramolecular aromatic π–π interactions, but the crystal packing reveals the presence of intermolecular C—H...O and C—H...π interactions. The C—H...O interactions generate chains of mol­ecules that are linked into sheets by C—H...π interactions about inversion centres.     

5‐(2‐Chloro­phenyl­diazenyl)­salicyl­aldehyde and 4‐(2‐chloro­phenyl­diazenyl)‐2‐{[tris­(hydroxy­methyl)­methyl]­amino­methyl­ene}cyclo­hexa‐3,5‐dien‐1(2H)‐one

The mol­ecule of the former title compound, C₁₃H₉ClN₂O₂, (I), is nearly planar, with an intramolecular O⋯O hydrogen bond of 2.692 (2) Å. The latter title compound, C₁₇H₁₈ClN₃O₄, (II), exists in the keto–amine tautomeric form, with a strong intramolecular hydrogen bond of 2.640 (2) Å between the O and N atoms, the H atom being bonded to the N atom. The azo­benzene moieties of both mol­ecules have trans configurations, and the dihedral angle between the planes of the two aromatic rings is 4.1 (1)° in (I) and 9.9 (1)° in (II). The N—H⋯O hydrogen‐bonded rings are almost planar and coupled with the cyclo­hexa­diene rings in (II).     

catena‐Poly[[{4‐bromo‐2‐[2‐(di­methyl­amino)­ethyl­imino­meth­yl]­phenolato}­copper(II)]‐μ‐thio­cyanato]

The title complex, [Cu(C₁₁H₁₄BrN₂O)(NCS)]_n, is an inter­esting thio­cyanate‐bridged polynuclear copper(II) compound, which crystallizes with two independent mol­ecules in the asymmetric unit. Each Cu^II atom is five‐coordinate in a square‐pyramidal configuration, with one O and two N atoms of one Schiff base ligand and one terminal N atom of a bridging thio­cyanate ligand defining the basal plane, and one terminal S atom of another bridging thio­cyanate ligand occupying the apical position. The {4‐bromo‐2‐[2‐(dimethyl­amino)ethyl­imino­meth­yl]phenolato}copper(II) units are linked by the bridging thio­cyanate ligands, forming polymeric chains running along the a axis. There are weak inter­molecular C—H⋯O and C—H⋯S hydrogen bonds between the chains in the crystal structure.