N‐(4‐Bi­phenyl­yl)­urea

In the crystal structure of the title compound, C₁₃H₁₂N₂O, N—H(anti)?O hydrogen bonds produce the so‐called urea α‐network and the N—H(syn) donor forms an unconventional N—H?π hydrogen bond.     

N‐(Ferrocenecarbonyl)‐N′‐(quinolin‐8‐yl)thio­urea

In the title compound, [Fe(C₅H₅)(C₁₆H₁₂N₃OS)], the 8‐am­inoquinoline and acyl­thio­urea moieties are almost planar. There are two perpendicular arrangements of the mol­ecules in the crystal with slightly different conformations. The two cyclo­penta­dienyl rings in each mol­ecule are parallel and eclipsed.     

Aqua­(5,6‐di­methyl‐1,10‐phenanthroline‐N,N′)­(glycolato‐O,O′)­copper(II) nitrate

The title compound, [Cu(C₂H₃O₃)(C₁₄H₁₂N₂)(H₂O)]NO₃, is the first example of a mixed copper glycolate compound with a di­imine ligand. The copper(II) compound lies in a slightly distorted square‐pyramidal coordination environment with one water mol­ecule coordinated in the apical position. The glycolate ligand binds to the Cu atom as a chelate through a carboxyl­ate and the α‐OH O atom which, together with the N atoms of the substituted phenanthroline, constitute the base of the pyramid.     

Salicylaldehyde 4,4′‐(hexane‐1,6‐di­yl)­thio­semicarbazone

The title compound, C₁₄H₁₉N₃OS, is in the thio­keto form, with the thione S and hydrazine N atoms cis with respect to each other so that the S atom is involved in inter‐ and intra­molecular hydrogen bonds simultaneously. Inter­molecular C—H⋯S and C—H⋯O hydrogen bonds result in one‐dimensional polymeric chains of mol­ecules along the a axis. A weak C—H⋯π ring inter­action binds the polymeric chains together.     

N‐tert‐Butyl‐N′‐[5‐cyano‐2‐(4‐methylphenoxy)phenylsulfonyl]urea,a new TXA2 receptor antagonist

The title compound, C₁₉H₂₁N₃O₄S, crystallizes in the space group P2/c with two molecules in the asymmetric unit. The conformation of both molecules is very similar and is mainly determined by an intramolecular N—H...O hydrogen bond between a urea N atom and a sulfonyl O atom. The O and second N atom of the urea groups are involved in dimer formation via N—H...O hydrogen bonds. The intramolecular hydrogen‐bonding motif and conformation of the C—SO₂—NH(C=O)—NH—C fragment are explored and compared using the Cambridge Structural Database and theoretical calculations. The crystal packing is characterized by π–π stacking between the 5‐cyanobenzene rings.     

tert‐Butyl N‐{2‐[N‐(N,N′‐dicyclohexyl­ureido­carbonyl­ethyl)­carbamoyl]prop‐2‐yl}carbamate

The title compound, C₂₅H₄₄N₄O₅, exhibits a turn with the main chain reversing direction, held together by an intramol­ecular N—H?O hydrogen bond. In the urea fragment, a notable amide C—N bond between the carboxyl C and the tertiary N atom shows marked single‐bond character [1.437 (2) Å]. The dihedral angle of the β‐alanyl residue, centrally located in the turn, is gauche [69.2 (2)°]. The packing is mediated by two intermolecular hydrogen bonds and van der Waals contacts involving the methyl moieties and the cyclo­hexyl rings.     

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.     

N‐(3H‐Thia­zol‐2‐yl­idene)­nitr­amine and N‐methyl‐N‐(thia­zol‐2‐yl)­nitr­amine

The geometries of the thia­zole ring and the nitr­amino groups in N‐(3H‐thia­zol‐2‐yl­idene)­nitr­amine, C₃H₃N₃O₂S, (I), and N‐­methyl‐N‐(thia­zol‐2‐yl)­nitr­amine, C₄H₅N₃O₂S, (II), are very similar. The nitr­amine group in (II) is planar and twisted along the C—N bond with respect to the thia­zole ring. In both structures, the asymmetric unit includes two practically equal mol­ecules. In (I), the mol­ecules are arranged in layers connected to each other by N—H⋯N and much weaker C—H⋯O hydrogen bonds. In the crystal structure of (II), the mol­ecules are arranged in layers bound to each other by both weak C—H⋯O hydrogen bonds and S⋯O dipolar interactions.     

N‐(4‐Methoxy­benzyl­idene)‐N′‐(2‐pyridyl)­hydrazine

Molecules of the title compound (alternative name p‐methoxybenzaldehyde 2‐pyridyl­hydrazone), C₁₃H₁₃N₃O, adopt an E configuration about the azomethine C=N double bond. Molecules are almost planar, the dihedral angle between the pyridine and methoxy­phenyl rings being only 6.19 (12)°. Pairwise N—H⃛N hydrogen bonds [R(8) in graph‐set notation] link centrosymmetrically related mol­ecules into discrete pairs.     

1‐[(5‐tert‐Butyl‐2‐hydroxy­phen­yl)­imino­meth­yl]‐2‐napthol

In the crystal structure of the title compound, C₂₁H₂₁NO₂, strong N—H⋯O and O—H⋯O hydrogen bonds exist. The keto–amine form is favoured over the enol–imine form in the tautomerism. Six‐membered chelate rings formed by intra­molecular hydrogen bonds increase the stability of the whole mol­ecule. Inter­molecular hydrogen bonds link adjacent units together, forming an infinite one‐dimensional chain parallel to the a axis.     

O‐(2‐tert‐Butyl‐6‐di­methyl­thio­carbamoyl‐4‐methylphenyl) N,N‐di­methyl­thiocarbamate di­chloro­methane solvate

In the title compound, C₁₇H₂₆N₂OS₂·CH₂Cl₂, the C=S distances are 1.650 (4) and 1.679 (3) Å, and the torsion angle between the planes of the thio­carbamate and carbono­thio­yl fragments is 54.4 (2)°. The steric and electronic effects that these substituents exert on one another determine the observed anti configuration with respect to the phenyl C atoms to which they are attached.     

N‐tert‐Butyl‐N′‐(2‐cyclohexylamino‐5‐nitrobenzenesulfonyl)urea,BM531, a dual‐acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition

The title compound (BM531), C₁₇H₂₆N₄O₅S, has been designed for use as both a thromboxane synthase inhibitor (TXSI) and a thromboxane receptor antagonist (TXRA). We report here the X‐ray crystal structure determination of the compound.     

{2‐[(3‐Amino­propyl)­amino­propyl­imino­methyl]­imidazol­ato‐N,N′,N′′,N′′′}­(methanol‐O)­copper(II) per­chlorate

In the title compound, [Cu(C₁₀H₁₈N₅)(CH₄O)]ClO₄, four N atoms from the deprotonated ligand derived from bis(3‐amino­propyl)­amine and 2‐imidazole­carbox­aldehyde are coordinated to the Cu atom. The four N atoms occupy equatorial positions with Cu—N bond distances ranging from 1.998 (2) to 2.046 (3) Å. The methanol O atom occupies one axial position with a Cu—O bond distance of 2.295 (2) Å.     

Synthesis and tuberculostatic activity of novel N′‐methyl‐4‐(pyrrolidin‐1‐yl)picolinohydrazide and N′‐methylpyrimidine‐2‐carbohydrazide derivatives

The synthesis of N′‐methyl‐4‐(pyrrolidin‐1‐yl)picolinohydrazide and N′‐methyl‐pyrimidine‐2‐carbohydrazide derivatives ( 5a and 5b ) was carried out. These compounds were used as starting materials to obtain methyl N′‐methylhydrazinecarbodithioates 6a and 6b , which, on reaction with either triethylamine or hydrazine, gave corresponding 1,3,4‐oxadiazioles 7a and 7b or 1,2,4‐triazoles 9a and 9b with the free NH₂ group at the N‐4 position, respectively. Compounds 8a – e , particularly containing cyclic amines at N‐4 of the 1,2,4‐triazole ring, were also obtained. Synthesized compounds were tested in vitro for their activity against Mycobacterium tuberculosis. The structure–activity relationship analysis for obtained compounds was done. © 2012 Wiley Periodicals, Inc. Heteroatom Chem 23:223–230, 2012; View this article online at wileyonlinelibrary.com . DOI 10.1002/hc.21008     

[N,N′‐Bis­(salicyl­idene)‐2,2‐di­methyl‐1,3‐propane­diaminato]­nickel(II) and [N,N′‐bis­(salicyl­idene)‐2,2‐di­methyl‐1,3‐propane­diaminato]copper(II)

In the title compounds, {2,2′‐[2,2‐di­methyl‐1,3‐propane­diyl­bis­(nitrilo­methyl­idyne)]­diphenolato‐κ⁴N,N′,O,O′}nickel(II), [Ni(C₁₉H₂₀N₂O₂)], and {2,2′‐[2,2‐di­methyl‐1,3‐propane­diyl­bis­(nitrilo­methyl­idyne)]­diphenolato‐κ⁴N,N′,O,O′}copper(II), [Cu(C₁₉H₂₀N₂O₂)], the Ni^II and Cu^II atoms are coordinated by two iminic N and two phenolic O atoms of the N,N′‐bis­(salicyl­idene)‐2,2‐di­methyl‐1,3‐propane­diaminate (SALPD^2?, C₁₇H₁₆N₂O₂^2?) ligand. The geometry of the coordination sphere is planar in the case of the Ni^II complex and distorted towards tetrahedral for the Cu^II complex. Both complexes have a cis configuration imposed by the chelate ligand. The dihedral angles between the N/Ni/O and N/Cu/O coordination planes are 17.20 (6) and 35.13 (7)°, respectively.     

5‐Butyl‐4‐(4,4,5,5‐tetra­methyl‐1,3,2‐dioxaborolan‐2‐yl)‐3‐(2,4,6‐tri­methyl­phenyl)­isoxazole

A novel [3+2]‐cyclo­addition reaction of alkynyl­boronates and nitrile oxides gave the title compound, C₂₂H₃₂BNO₃, as a single regioisomer. The X‐ray crystal structure analysis of this compound shows two independent mol­ecules in the asymmetric unit, each with approximately coplanar isoxazole and boronate rings.     

N‐Meth­yl‐N‐(2‐nitro­phen­yl)nitramine and N‐meth­yl‐N‐(3‐nitro­phen­yl)­nitramine

The structures of the two title isomeric compounds (systematic names: N‐meth­yl‐N,2‐dinitro­aniline and N‐meth­yl‐N,3‐di­nitro­aniline, both C₇H₇N₃O₄) are slightly different because they exhibit different steric hindrances and hydrogen‐bonding environments. The aromatic rings are planar. The –N(Me)NO₂ and –NO₂ groups are not coplanar with the rings. Comparison of the geometric parameters of the ortho, meta and para isomers together with those of N‐meth­yl‐N‐phenyl­nitramine suggests that the position of the nitro group has a strong influence on the aromatic ring distortion. The crystal packing is stabilized by weak C—H⋯O hydrogen bonds to the nitramine group.     

Piperidinium 3‐[(4‐hydroxy‐5,7‐di­methyl‐2‐oxo‐2H‐chromen‐3‐yl)­phenyl­methyl]‐5,7‐di­methyl‐2‐oxo‐2H‐chromen‐4‐olate

In the title salt, C₅H₁₂N⁺·C₂₉H₂₃O₆^?, both benzo­pyran systems are planar. Intermolecular N—H?O hydrogen bonds and a short O—H?O intramolecular hydrogen bond are observed in the structure.     

Ammonium di­chloro­bis­(di­methyl­glyoximato‐N,N′)­iridate(III)

In the title compound, (NH₄)[IrCl₂(C₄H₇N₂O₂)₂], (I), the Ir atom is octahedrally coordinated by two trans Cl^? and two di­methyl­glyoximate chelate ligands in the equatorial plane. A two‐dimensional hydrogen‐bond network between ammonium cations NH₄⁺ and anionic [IrCl₂(C₄H₇N₂O₂)₂]^? complexes is extended along the bc plane.     

N‐(2‐Amino­benz­yl)‐N,N‐bis­(quinolin‐2‐ylmeth­yl)amine

The title new diquinaldine derivative, C₂₇H₂₄N₄, forms mol­ecular assemblies organized by inter­molecular quinoline π–π stacking [3.356 (3) and 3.440 (3) Å] and both inter‐ and intra­molecular N—H⋯N hydrogen bonds [3.039 (3)–3.104 (3) Å and 129 (2)–172 (2)°]. The combination of such inter­actions provides readily definable contacts that propagate along each crystallographic axis.