Potassium p‐nitro­phenyl sulfate

The crystal structure of the title compound, K⁺·C₆H₄NO₆S⁻, is built up from p‐nitro­phenyl sulfate anions and potassium cations. Adjacent anions form dimers, which are linked together in a three‐dimensional network via short C—H⋯O contacts. The coordination sphere of the K⁺ ions may be described as a distorted square antiprism. The crystal structure is further stabilized by π–π stacking interactions between the aryl rings.     

The dipotassium salt of p‐nitro­catechol sulfate

The structure of p‐nitrocatechol sulfate dipotassium salt dihydrate (dipotassium 2‐oxido‐5‐nitrophenyl sulfate dihydrate), K₂(C₆H₃NO₇S)·2H₂O, is reported. An accurate structural determination was needed to derive reliable restraints for use in macromolecular refinement at medium resolution of a protein–substrate complex.     

p‐Methoxy­benz­aldehyde benzoyl­hydrazone monohydrate

The crystal structure of the title compound, C₁₅H₁₄N₂O₂·H₂O, is in the keto tautomeric form and the configuration at the azomethine C=N double bond is E. The mol­ecule is non‐planar, with a dihedral angle of 27.3 (1)° between the aromatic rings. The crystal structure is stabilized by extensive hydrogen bonding involving the water mol­ecule and hydrazone moiety.     

Sodium 2‐nitro­ethanaloximate forms a layered‐framework structure

In the title compound, [Na(C₂H₃N₂O₃)], the Na⁺ cation lies on a centre of inversion in space group P2₁/m and all the atoms of the anion lie on a mirror plane. Na is octahedrally coordinated by four O and two N atoms from six different anions and each anion is coordinated to six different Na⁺ cations, forming chains of confacial octahedra which link the anion layers. Within these layers, the individual anions are linked by both O—H?O and C—H?O hydrogen bonds.     

1‐Methyl­piperazine‐1,4‐diium 4‐nitro­phthalate(2–) 4‐nitro­phthalic acid monohydrate

The title adduct, C₅H₁₄N₂²⁺·C₈H₃NO₆²⁻·C₈H₅NO₆·H₂O, crystallizes in the monoclinic space group P2₁. All O atoms of the 4‐nitro­phthalate anions and neutral 4‐nitro­phthalic acid mol­ecules are involved in hydrogen bonding with the piperazine dication and the water mol­ecule of crystallization.     

3,5‐Di­fluoro‐4‐nitro­pyridine N‐oxide and 3,5‐di­amino‐4‐nitro­pyridine N‐oxide monohydrate

The mol­ecule of 3,5‐di­fluoro‐4‐nitro­pyridine N‐oxide, C₅H₂F₂N₂O₃, is twisted around the C—NO₂ bond by 38.5 (1)°, while the 3,5‐di­amino analogue, 3,5‐di­amino‐4‐nitro­pyridine N‐oxide monohydrate, C₅H₆N₄O₃·H₂O, adopts a planar conformation stabilized by intramolecular hydrogen bonds, with a significant redistribution of π electrons.     

Sodium trichloro­methane­sulfonate monohydrate

Sodium trichloro­methane­sulfonate monohydrate, Na⁺·CCl₃SO₃⁻·H₂O, crystallizes in P2₁/a with all the atoms located in general positions. The trichloro­methane­sulfonate (trichlate) anion consists of pyramidal SO₃ and CCl₃ groups connected via an S—C bond in a staggered conformation with approximate C_3v symmetry. The water mol­ecule is hydrogen bonded to the sulfonate O atoms, with one water H atom forming weak bifurcated O—H⋯O hydrogen bonds to two different trichlate ions. Two water O atoms and three O atoms from different SO₃ groups form a square‐pyramidal arrangement around the sodium ion.     

Polymeric structure of (ethyl­ene­diamine)silver(I) 3‐nitro­benzoate monohydrate

In the ternary title compound, catena‐poly­[[silver(I)‐μ‐ethylenedi­amine‐κ²N:N′] 3‐nitro­benzoate monohydrate], {[Ag(C₂H₈N₂)](C₇H₄NO₄)·H₂O}_n, the Ag atom is bicoordinated in a linear configuration by two different N atoms from two symmetry‐related ethyl­enedi­amine ligands, thus giving linear polymeric chains with an [–Ag—N—C—C—N–]_n backbone running parallel to the a axis. In the crystal packing, these linear chains are interconnected by N—H⃛O and O—H⃛O hydrogen bonds to form layers parallel to the ab plane.     

2,4,6‐Trimethyl‐N‐nitro­aniline

In 2,4,6‐trimethyl‐N‐nitro­aniline (alternatively called mesitylnitramine), C₉H₁₂N₂O₂, the primary nitramino group is planar with a short N—N bond and is nearly perpendicular to the aromatic ring. The methyl group located in the para position is disordered, each H atom having half‐occupancy. The mol­ecules are linked together along the [100] axis by inter­molecular N—H⋯O hydrogen bonds.     

p‐Chloro‐, p‐bromo‐ and two polymorphs of p‐iodo­aceto­phenone

The title p‐haloaceto­phenones, C₈H₇XO (X = Cl, Br and I), have different packing modes. The chloro compound contains H⋯O and H⋯Cl contacts, but no Cl⋯O contacts. The bromo compound and one polymorph (A) of the iodo compound are isomorphous, with significant X⋯O contacts [Br⋯O = 3.320 (4) Å and I⋯O = 3.374 (5) Å]. In the other polymorph (B) of the iodo compound, the I⋯O distance is 3.082 (4) Å. Both polymorphs contain C—H⋯π contacts; these contacts are shorter in A than in B.     

Isomorphous brucinium 4‐nitro­benzoate methanol solvate and brucinium 4‐nitro­benzoate dihydrate

In isomorphous crystals of brucinium 4‐nitro­benzoate methanol solvate, C₂₃H₂₇N₂O₄⁺·C₇H₄NO₄⁻·CH₃OH, and brucinium 4‐nitro­benzoate dihydrate, C₂₃H₂₇N₂O₄⁺·C₇H₄NO₄⁻·2H₂O, the brucinium cations form reverse corrugated layers, in which the amine N and amide O atoms of the brucinium cations are located in the grooves and at convex points of the layer surface, respectively. Similarly, as observed for the commonly occurring corrugated brucinium layers, the amide O atoms of the cations are involved in hydrogen bonds in which solvent mol­ecules are the donors.     

1:1 Complex of 4‐nitro­benzoic acid and 4‐nitro­pyridine N‐oxide

In the title co‐crystal, C₇H₅NO₄·C₅H₄N₂O₃, the two components are linked by an intermolecular hydrogen bond between the O—H and N—O groups [O?O 2.577 (3) Å]. The interplanar angle between the planes of the rings of the mol­ecules is 5.3 (2)°. The rings are stacked in the crystal with a mean interplanar distance of 3.279 (3) Å.     

4‐Anilino‐3‐nitro­pyridine

The structure of the title compound, C₂₂H₁₈N₆O₄, (I), comprises two unique mol­ecules that separately form hydrogen‐bonded polymer chains via N—H?N interactions. Molecular independence arises due to a difference in the dihedral angles between the linked rings, i.e. 52.19 (4) and 46.17 (5)°.     

4‐Chloro‐N‐(4‐cyano‐2‐nitro­phenyl)‐3‐nitro­benz­amide

The structure of the title compound, C₁₄H₇ClN₄O₅, comprises two nearly coplanar phenyl rings connected via an amido moiety.     

2‐Nitr­imino‐1‐nitro­imidazolidine

The mol­ecule of the title compound, C₃H₅N₅O₄, has a planar geometry. Due to the presence of a second nitro group, the lengths of the two conjugated C—N bonds are different. Nevertheless, the conjugation of the nitr­imine group spreads to the nitr­amine group. Intermolecular N—H...O bonds connect mol­ecules into dimers in the crystal structure.     

Do­decyl 2‐nitro­phenyl disulphide

Do­decyl 2‐nitro­phenyl disulphide, C₁₈H₂₉NO₂S₂, contains an intramolecular S?O contact of 2.623 (3) Å. The angle between the planes of the NO₂ group and the attached phenyl ring is 4.2 (3)°. The thermal vibrations of the atoms increase along the paraffinic chain. The nitro­so O atom not involved in the S?O intramolecular contact also has high thermal motion. Attempts to create disordered models to allow for the thermal motions were unsuccessful.     

Dual Self‐Assembling Polycondensation of p‐Acetoxybenzoic Acid and p‐Acetamidobenzoic Acid

The dual self‐assembling polycondensation of p‐acetoxybenzoic acid (ABA) and p‐acetamidobenzoic acid in Therm S 800 was examined at 300 °C. Needle‐like crystals and lath‐like crystals were formed simultaneously through reaction‐induced crystallization of oligomers at a molar ratio of 30–50 mol‐% ABA in the feed. The needle‐like crystals comprised more p‐oxybenzoyl units, whereas the lath‐like ones contained higher amounts of p‐benzamide moieties.

     

Cyclo­decyl 4‐nitro­phenyl­acetate

Cyclodecyl 4‐nitrophenylacetate, C₁₈H₂₅NO₄, has its ten‐membered ring in the expected diamond‐lattice boat–chair–boat [2323] conformation, with the substituent 4‐nitro­phenyl­acet­oxy group in the BCB IIIe position. The ester unit has the expected Z conformation, with an O=C—O—C torsion angle of −0.3 (3)°, and the connection to the benzene ring is nearly perpendicular to the ester, with an O=C—C—C torsion angle of 85.5 (2)°. An inter­molecular contact exists between the ester C atom and a nitro O atom, having a C⋯O distance of 2.909 (2) Å.     

Layer architecture in 4‐nitro­phenyl and 4‐chloro­phenyl 3‐nitro­benzene­sulfonate at 100 K

The structures of the title compounds, C₁₂H₈N₂O₇S and C₁₂H₈ClNO₅S, contain weak C—H⋯O interactions creating layers of mol­ecules which, taking the conformation of the mol­ecules into account, are arranged in an ABAB sequence. Both structures can be designated, therefore, as ordered racemates of rotameric species.     

dl‐Alaninium semi‐oxalate monohydrate

The structure of the title compound, C₃H₈NO₂⁺·C₂HO₄⁻·H₂O, is formed by two chiral counterparts (l ‐ and d ‐alaninium cations), semi‐oxalate anions and water molecules, with a 1:1:1 cation–anion–water ratio. The structure is compared with that of the previously known anhydrous dl ‐alaninium semi‐oxalate [Subha Nandhini, Krishnakumar & Natarajan (2001). Acta Cryst. E 57 , o666–o668] in order to investigate the role of water molecules in the crystal packing. The structure of the hydrate resembles that of anhydrous alaninium semi‐oxalate, with the water molecule incorporated into the general three‐dimensional network of hydrogen bonds where it forms four hydrogen bonds with neighbours disposed tetrahedrally about it. Although the main structural motifs in the hydrate and in the anhydrous form are topologically similar, the incorporation of water molecules in the network results in significant geometric distortion. There are several types of hydrogen bond in the crystal structure of the hydrate, two of which (O—H...O bonds between the semi‐oxalate anions and O—H...O hydrogen bonds between water and alaninium cations) are very short. Such hydrogen bonds between semi‐oxalate anions are also present in the anhydrous form of this compound. Short distances between semi‐oxalate anions in neighbouring chains in the hydrate alternate with longer ones, whereas in the anhydrous structure they are equidistant. Despite the similarity of these compounds, dehydration of the hydrate on storage is not of a single‐crystal to single‐crystal type, but gives a polycrystalline pseudomorph, preserving the crystal habit. This transformation proceeds through the formation of an intermediate compound, presumably a hemihydrate.