Supramolecular structures of 2‐cyano‐3‐di­methyl­amino‐N‐(4‐methyl­phenyl)­acryl­amide and 2‐cyano‐3‐di­methyl­amino‐N‐(2‐methoxy­phenyl)­acryl­amide

In the title compounds, C₁₃H₁₅N₃O, (I), and C₁₃H₁₅N₃O₂, (II), the dihedral angles between the planes of the phenyl ring and the amide group are 4.1 (1) and 20.7 (1)°, respectively. The mol­ecules adopt a fully extended conformation, aided by intramolecular interactions. The molecular structures of (I) and (II) display different crystal packing and hydrogen‐bonding networks.     

Di­methyl(2‐methyl­phenyl)­ammonium hydroxo­tris­(penta­fluoro­phenyl)­borate

In the title compound, [(CH₃)₂(C₇H₇)NH][(C₆F₅)₃B(OH)] or C₉H₁₄N⁺·C₁₈HBF₁₅O^?, the distorted tetrahedral borate anions are strongly hydrogen bonded to the substituted ammonium cations. The N?O separation in the N—H?O hydrogen bond is 2.728 (3) Å.     

1,4‐Di­methyl­pyridinium hexakis­(di­methyl­form­amide‐κO)­calcium(II) dodecamolybdophosphate

In the title compound, (C₇H₁₀N)[Ca(C₃H₇NO)₆][PMo₁₂O₄₀], two types of cations {viz. 1,4‐di­methyl­pyridinium and a [Ca(DMF)₆]²⁺ complex cation (DMF is di­methyl­form­amide)} and dodecamolybdophosphate (tetra­conta­oxo­phos­phido­dodeca­molybdate) anions form an infinite three‐dimensional assembly via electrostatic forces.     

Di­chloro­bis(3,5‐di­methyl­pyrazole‐N2)methyl­phenyl­tin(IV)

The title compound, [SnCl₂(CH₃)(C₆H₅)(C₅H₈N₂)₂], was obtained by reaction of di­chloro­methyl­phenyl­tin(IV) and 3,5‐di­methyl­pyrazole (dmpz) in chloro­form, and was recrystallized from acetone. The structure consists of octahedral all‐trans [SnMePhCl₂(dmpz)₂] mol­ecules, with the Sn atom coordinated to two C [Sn—C 2.127 (5) and 2.135 (4) Å], two Cl [Sn—Cl 2.5753 (8) Å] and two N atoms [Sn—N 2.357 (3) Å]. The dmpz ligands, bound to the metal through their unprotonated N atoms, form weak intra‐ and intermolecular hydrogen bonds with the Cl ligands via their NH groups, giving rise to a polymeric chain along the c axis.     

1‐(2‐Hydroxy‐4,6‐di­methyl­phenyl)­ethanone

In the crystal of the title compound, C₁₀H₁₂O₂, there are two symmetry‐independent mol­ecules, which are essentially superimposable. Each mol­ecule exhibits an intramolecular O—H?O hydrogen bond, with O?O separations of 2.483 (4) and 2.468 (4) Å.     

(4,6‐Dimercapto‐1,3,5‐triazine‐2‐thiol­ato‐S2)­tris­(tri­phenyl­phosphine‐P)gold(I) di­methyl­form­amide solvate

In the title compound, [Au(C₃H₂N₃S₃)(C₁₈H₁₅P)₃]·C₃H₇NO, the Au^I atom has a distorted tetrahedral geometry consisting of one uncoordinated di­methyl­form­amide mol­ecule, one tri­thio­cyanurate ligand and three PPh₃ ligands. The S—Au distance is 2.909 (2) Å, and the P—Au distances fall in the range 2.400 (14)–2.4074 (13) Å. The S—Au—P angles are 92.81 (6), 99.17 (6) and 104.21 (5)°, and the P—Au—P angles are 114.46 (5), 119.04 (5) and 119.66 (5)°.     

The ternary complex 4‐(2‐pyridyl)pyridinium–3,5‐di­nitro­benzoate–3,5‐di­nitro­benzoic acid (1/1/1)

In the title ternary complex, C₁₀H₉N₂⁺·C₇H₃N₂O₆^?·C₇H₄N₂O₆, the pyridinium cation adopts the role of the donor in an intermolecular N—H?O hydrogen‐bonding interaction with the carboxyl­ate group of the 3,5‐di­nitro­benzoate anion. The mol­ecules of the ternary complex form molecular ribbons perpendicular to the b direction, which are stabilized by one N—H?O, one O—H?O and five C—H?O intermolecular hydrogen bonds. The ribbons are further interconnected by three intermolecular C—H?O hydrogen bonds into a three‐dimensional network.     

Bis­[1‐(p‐chloro­phenyl)‐5‐iso­propyl­biguanide‐κ2N2,N4]­nickel(II) dichloride di­methyl­form­amide solvate

The asymmetric unit of the title compound, [Ni(C₁₁H₁₆ClN₅)₂]Cl₂·C₃H₇NO, contains one monomeric nickel(II) com­plex cation, two Cl⁻ anions and one di­methyl­form­amide sol­vent mol­ecule. The Ni atom is coordinated to each of two 1‐­(p‐chloro­phenyl)‐5‐iso­propyl­biguanide (proguanil) ligands via two N atoms. The complex exhibits a square‐planar coordination, with the Ni atom lying 0.021 (2) Å out of the basal plane. The crystal packing is characterized by several hydrogen bonds.     

Terephthal­aldehyde bis­(thio­semi­carba­zone) bis­(di­methyl­form­amide) solvate

The thio­semicarbazone mol­ecule in C₁₀H₁₂N₆S₂·2C₃H₇NO has symmetry. The thio­semicarbazone moiety and the benzene ring are essentially coplanar, with mean and maximum deviations of 0.03 and 0.11 Å, respectively. The di­methyl­form­amide mol­ecules bridge the thio­semicarbazone moieties, forming two‐dimensional sheets through N—H?O hydrogen bonds.     

trans‐Di­aqua­tetrakis(3,5‐di­methyl­pyrazole‐N2)­nickel(II) dichloride

The X‐ray structure analysis of [Ni(C₅H₈N₂)₄(H₂O)₂]Cl₂ was undertaken to elucidate the geometry around the Ni²⁺ ion. The molecule lies on a twofold axis which runs through the O—Ni—O atoms. The geometry around the Ni²⁺ ion is best described as slightly distorted tetragonal bipyramidal.     

4,5‐Di­hydro‐3‐methyl‐5‐(4‐methyl­phenyl)‐1H‐pyrazole‐1‐carbox­amide

The reaction between 4‐(4‐methyl­phenyl)­but‐3‐en‐2‐one and amino­guanidine produced an unexpected product of formula C₁₂H₁₅N₃O, consisting of a carbox­amide moiety joined to a substituted pyrazoline ring at one of the N atoms. The pyrazoline ring adopts a flat‐envelope conformation and the substituted phenyl ring is oriented almost perpendicular to the heterocycle. The carbonyl O atom has partial anionic character as a result of the transfer of π density from the two adjacent sp² N atoms and is involved in an intermolecular hydrogen bond with the amide group.     

Diethyl 1‐(4‐fluoro­phenyl)‐3‐(2‐furyl)‐5‐oxopyrrolidine‐2,2‐di­carboxyl­ate and diethyl 1‐(3,4‐di­chloro­phenyl)‐3‐(2‐furyl)‐5‐oxopyrrolidine‐2,2‐di­carboxyl­ate

The title compounds, C₂₀H₂₀FNO₆ and C₂₀H₁₉Cl₂NO₆, respectively, may exhibit bioactivity. In these compounds, the pyrrolidine ring adopts a conformation intermediate between envelope and half‐chair. Only one of the two ethoxy­carbonyl side chains is nearly planar. Centrosymmetric pairs are formed, and the crystal structure is stabilized by weak C—H⋯O hydrogen bonds and van der Waals interactions.     

2‐(4‐Acetyl‐3,5‐di­hydroxy‐2‐methyl­phenoxy)‐4,6‐di­methoxy‐3‐methyl­benzoic acid

In the title compound, C₁₉H₂₀O₈, the benzene rings are nearly perpendicular to each other [dihedral angle 80.2 (2)°]. The carboxy group is twisted out while both the methoxy and acetyl groups are almost coplanar with their attached benzene rings. The hydroxy group is involved in an intramolecular O—H?O hydrogen bond with the acetyl O atom and the compound is connected through an intermolecular O—H?O contact to form a dimer. The crystal structure is stabilized by intermolecular O—H?O hydrogen bonds.     

4,6‐Di­chloro‐2‐(methyl­thio)­pyrimidine

The structure of the title compound, C₃₀H₂₄Cl₁₂N₁₂S₆, (I), comprises six symmetry unique mol­ecules that vary only slightly in their N—C—S—C torsion angle. All the mol­ecules are planar to within less than 3.1°.     

(1E)‐2‐(Di­acetyl­amino)‐1‐methyl­prop‐­1‐enyl acetate

The analysis of the title compound, C₁₀H₁₅NO₄, firmly establishes the configuration of the double bond as E, a stereochemistry that had been assigned tentatively by other methods. The di­acetyl­amine and acetate substituents are approximately coplanar to one another, but approximately perpendicular to the planar ethene core. H atoms of the ethene methyl substituents are found within the ethene plane, indicating that hyperconjugation does not play an important role in stabilizing the double bond.     

4‐[4‐(Di­methyl­amino)­benzyl­idene­amino]‐3,5‐bis(2‐pyridyl)‐4H‐1,2,4‐triazole

The title compound, C₂₁H₁₉N₇, is a poly­pyridine ligand that is suitable for assembling complex metal systems capable of photoinduced electron transfer. The solid‐state structure has been determined at room temperature by single‐crystal X‐ray diffraction. The mol­ecule is not flat and both the bis­(pyridyl)­triazole and the benzyl­id­ene­amine fragments show significant distortions from planarity.     

N‐(6‐Bromo‐4‐oxo‐3,4‐di­hydro­pteridin‐2‐yl)‐2,2‐di­methyl­propan­amide

In the title compound, C₁₁H₁₂BrN₅O₂, the rings in the pterin moiety are planar. The carbonyl O atom is in a synperiplanar conformation, while the C—N—C(=O)—C linkage is antiperiplanar. N—H?N and N—H?O intermolecular hydrogen bonds transform the mol­ecules into infinite chains.     

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.     

3,5‐Di­methyl‐4‐(2,4,6‐tri­methyl­phenyl­diazenyl)­phenol

In the title compound, C₁₇H₂₀N₂O, (I), the dihedral angle between the two phenyl rings is 15.69 (6)°. An intermolecular hydrogen‐bonding association exists between the hydroxy group and one of the azo N atoms.     

3‐(2‐Furyl)‐6‐(4‐methyl­phenyl)‐7H‐1,2,4‐triazolo­[3,4‐b][1,3,4]thia­diazine and its 6‐phenyl analogue

In the title compounds, C₁₅H₁₂N₄OS, (I), and C₁₄H₁₀N₄OS, (II), the thia­diazine ring adopts a skew‐boat conformation, while the triazole and furyl rings are essentially planar. The phenyl group is twisted by 33.5 (2) and 47.9 (1)° out of the triazole‐ring plane in (I) and (II), respectively.