scholarly journals A solid solution of ethyl and d 3-methyl 2-[(4-methylpyridin-2-yl)amino]-4-(pyridin-2-yl)thiazole-5-carboxylate

2020 ◽  
Vol 76 (8) ◽  
pp. 1255-1259 ◽  
Author(s):  
Andreas Beuchel ◽  
Richard Goddard ◽  
Peter Imming ◽  
Rüdiger W. Seidel
Keyword(s):  
Solid Solution ◽  
Methyl Ester ◽  
Hydrogen Bonds ◽  
Pyridine Ring ◽  
Pyridine Nitrogen Atom ◽  
Hantzsch Reaction ◽  
Pyridine Nitrogen ◽  
Ester Moiety ◽  
Secondary Amino

The synthesis of ethyl 2-[(4-methylpyridin-2-yl)amino)-4-(pyridin-2-yl)thiazole- 5-carboxylate via the Hantzsch reaction and partial in situ transesterification during recrystallization from methanol-d 4 to the d 3-methyl ester, resulting in the title solid solution, ethyl 2-[(4-methylpyridin-2-yl)amino)-4-(pyridin-2-yl)thiazole-5-carboxylate–d 3-methyl 2-[(4-methylpyridin-2-yl)amino)-4-(pyridin-2-yl)thiazole-5-carboxylate (0.88/0.12), 0.88C17H16N4O2S·0.12C16D3H11N4O2S, is reported. The refined ratio of ethyl to d 3-methyl ester in the crystal is 0.880 (6):0.120 (6). The pyridine ring is significantly twisted out of the plane of the approximately planar picoline thiazole ester moiety. N—H...N hydrogen bonds between the secondary amino group and the pyridine nitrogen atom of an adjacent symmetry-related molecule link the molecules into polymeric hydrogen-bonded zigzag tapes extending by glide symmetry in the [001] direction. There is structural evidence for intramolecular N...S chalcogen bonding and intermolecular weak C—H...O hydrogen bonds between adjacent zigzag tapes.

Crystal structures of 7-azaindole, an unusual hydrogen-bonded tetramer, and of two of its methylmercury(II) complexes

1990 ◽  
Vol 68 (1) ◽  
pp. 193-201 ◽  
Author(s):  
Pascal Dufour ◽  
Yves Dartiguenave ◽  
Michèle Dartiguenave ◽  
Nathalie Dufour ◽  
Anne-Marie Lebuis ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Membered Ring ◽  
Pyridine Nitrogen Atom ◽  
Nitrate Ions ◽  
Pyridine Nitrogen ◽  
Independent Molecules ◽  
Hydrogen Bonded

Crystals of 7-azaindole ([Formula: see text], a = 11.312(4), b = 14.960(6), c = 15.509(5) Å, α = 102.86(3), β = 108.78(3), γ = 90.71(3)°, Z = 16, R = 0.052) contain tetrameric units of approximate S4 symmetry, in which the molecules are associated by means of four complementary N—H … N hydrogen bonds. [CH3Hg(7-azaindole)]NO3 ([Formula: see text], a = 7.818(3), b = 7.884(3), c = 9.135(4) Å, α = 97.89(3), β = 109.13(3), γ = 103.28(3)°, Z = 2, R = 0.039) contains well-separated nitrate ions and complex cations in which the methylmercury group is linearly bonded to the pyridine nitrogen atom, whereas the five-membered ring remains protonated. In the neutral [CH3Hg(azaindolate)] complex ([Formula: see text], a = 10.926(10), b = 11.333(8), c = 11.647(10) Å, α = 92.13(8), β = 104.83(9), γ = 111.86(7)°, Z = 6, R = 0.048), methylmercury groups have substituted the N—H proton in the five-membered ring for the three symmetry-independent molecules. Intermolecular secondary Hg … N bonds are found with pyridine nitrogens. Keywords: azaindole, methylmercury, crystal structure.

scholarly journals MethylN-(3-cyanopicolinoyl)-L-tryptophanate

2013 ◽  
Vol 69 (12) ◽  
pp. o1810-o1810 ◽  
Author(s):  
Olga Ovdiichuk ◽  
Olga Hordiyenko ◽  
Zoia Voitenko ◽  
Axelle Arrault ◽  
Volodymyr Medviediev
Keyword(s):  
Methyl Ester ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Ring System ◽  
Ester Hydrochloride ◽  
Methyl Ester Hydrochloride ◽  
Indole Ring ◽  
Compound C ◽  
Tryptophan Methyl Ester

In the title compound, C19H16N4O3, the stereocenter has an L configuration; L-tryptophan methyl ester hydrochloride being used as a starting material. The indole ring system and the pyridine ring are inclined to one another by 13.55 (14)°. In the crystal, adjacent molecules are linkedviaN—H...O hydrogen bonds, forming chains propagating along thec-axis direction.

scholarly journals Indolizines and pyrrolo[1,2-c]pyrimidines decorated with a pyrimidine and a pyridine unit respectively

2015 ◽  
Vol 11 ◽  
pp. 1079-1088 ◽  
Author(s):  
Marcel Mirel Popa ◽  
Emilian Georgescu ◽  
Mino R Caira ◽  
Florentina Georgescu ◽  
Constantin Draghici ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Nitrogen Atom ◽  
Steric Hindrance ◽  
Cycloaddition Reaction ◽  
Dipolar Cycloaddition ◽  
Pyridine Nitrogen Atom ◽  
Structural Isomers ◽  
X Ray ◽  
Pyridine Nitrogen

The three possible structural isomers of 4-(pyridyl)pyrimidine were employed for the synthesis of new pyrrolo[1,2-c]pyrimidines and new indolizines, by 1,3-dipolar cycloaddition reaction of their corresponding N-ylides generated in situ from their corresponding cycloimmonium bromides. In the case of 4-(3-pyridyl)pyrimidine and 4-(4-pyridyl)pyrimidine the quaternization reactions occur as expected at the pyridine nitrogen atom leading to pyridinium bromides and consequently to new indolizines via the corresponding pyridinium N-ylides. However, in the case of 4-(2-pyridyl)pyrimidine the steric hindrance directs the reaction to the pyrimidinium N-ylides and, subsequently, to the formation of the pyrrolo[1,2-c]pyrimidines. The new pyrrolo[1,2-c]pyrimidines and the new indolizines were structurally characterized through NMR spectroscopy. The X-ray structures of two of the starting materials, 4-(2-pyridyl)pyrimidine and 4-(4-pyridyl)pyrimidine, are also reported.

scholarly journals Diaquabis{μ-1,5-bis[(pyridin-2-yl)methylidene]carbonohydrazide(1–)}di-μ-chlorido-tetrachloridotetrazinc(II)

2020 ◽  
Vol 76 (8) ◽  
pp. 1349-1352
Author(s):  
Thierno Moussa Seck ◽  
Papa Aly Gaye ◽  
Cheikh Ndoye ◽  
Ibrahima Elhadji Thiam ◽  
Ousmane Diouf ◽  
...  
Keyword(s):  
Nitrogen Atom ◽  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Basal Plane ◽  
Chloride Anion ◽  
Methanol Solution ◽  
Pyridine Nitrogen Atom ◽  
Imino Nitrogen ◽  
Pyridine Nitrogen ◽  
Dinuclear Unit

A tetranuclear ZnII complex, [Zn4(C13H11N6O)2Cl6(H2O)2] or {[Zn2(HL)(H2O)(Cl2)](μCl)2[Zn2(HL)(H2O)(Cl)]}2, was synthesized by mixing an equimolar amount of a methanol solution containing ZnCl2 and a methanol solution containing the ligand H2 L [1,5-bis(pyridin-2-ylmethylene)carbonohydrazide]. In the tetranuclear complex, each of the two ligand molecules forms a dinuclear unit that is connected to another dinuclear unit by two bridging chloride anions. In each dinuclear unit, one ZnII cation is pentacoordinated in a N2OCl2 in a distorted square-pyramidal geometry, while the other ZnII cation is hexacoordinated in a N3OCl2 environment with a distorted octahedral geometry. The basal plane around the pentacoordinated ZnII cation is formed by one chloride anion, one oxygen atom, one imino nitrogen atom and one pyridine nitrogen atom with the apical position occupied by a chloride anion. The basal plane of the hexacoordinated ZnII cation is formed by one chloride anion, one hydrazinyl nitrogen atom, one imino nitrogen atom and one pyridine nitrogen atom with the apical positions occupied by a water oxygen atom and a bridged chloro anion from another dinuclear unit, leading to a tetranuclear complex. A series of intramolecular C—H...Cl hydrogen bonds is observed in each tetranuclear unit. In the crystal, the tetranuclear units are connected by intermolecular C—H...Cl, C—H...O and N—H...O hydrogen bonds, forming a planar two-dimensional structure in the ac plane.

scholarly journals Crystal structures of two CuII compounds: catena-poly[[chloridocopper(II)]-μ-N-[ethoxy(pyridin-2-yl)methylidene]-N′-[oxido(pyridin-3-yl)methylidene]hydrazine-κ4 N,N′,O:N′′] and di-μ-chlorido-1:4κ2 Cl:Cl-2:3κ2 Cl:Cl-dichlorido-2κCl,4κCl-bis[μ3-ethoxy(pyridin-2-yl)methanolato-1:2:3κ3 O:N,O:O;1:3:4κ3 O:O:N,O]bis[μ2-ethoxy(pyridin-2-yl)methanolato-1:2κ3 N,O:O;3:4κ3 N,O:O]tetracopper(II)

2019 ◽  
Vol 75 (7) ◽  
pp. 1069-1075
Author(s):  
Ousmane Sall ◽  
Farba Bouyagui Tamboura ◽  
Adama Sy ◽  
Aliou Hamady Barry ◽  
Elhadj Ibrahima Thiam ◽  
...  
Keyword(s):  
Nitrogen Atom ◽  
Hydrogen Bonds ◽  
Chloride Anion ◽  
Dimensional Structure ◽  
Hydroxyl Groups ◽  
Pyridine Nitrogen Atom ◽  
Apical Position ◽  
Metal Centers ◽  
Pyridine Nitrogen ◽  
Oxygen Atoms

Two CuII complexes [Cu(C14H13N4O2)Cl] n , I, and [Cu4(C8H10NO2)4Cl4] n , II, have been synthesized. In the structure of the mononuclear complex I, each ligand is coordinated to two metal centers. The basal plane around the CuII cation is formed by one chloride anion, one oxygen atom, one imino and one pyridine nitrogen atom. The apical position of the distorted square-pyramidal geometry is occupied by a pyridine nitrogen atom from a neighbouring unit, leading to infinite one-dimensional polymeric chains along the b-axis direction. Each chain is connected to adjacent chains by intermolecular C—H...O and C—H...Cl interactions, leading to a three-dimensional network structure. The tetranuclear complex II lies about a crystallographic inversion centre and has one core in which two CuII metal centers are mutually interconnected via two enolato oxygen atoms while the other two CuII cations are linked by a chloride anion and an enolato oxygen. An open-cube structure is generated in which the two open-cube units, with seven vertices each, share a side composed of two CuII ions bridged by two enolato oxygen atoms acting in a μ3-mode. The CuII atoms in each of the two CuO3NCl units are connected by one μ2-O and two μ3-O atoms from deprotonated hydroxyl groups and one chloride anion to the three other CuII centres. Each of the pentacoordinated CuII cations has a distorted NO3Cl square-pyramidal environment. The CuII atoms in each of the two CuO2NCl2 units are connected by μ2-O and μ3-O atoms from deprotonated alcohol hydroxy groups and one chloride anion to two other CuII ions. Each of the pentacoordinated CuII cations has a distorted NO2Cl2 square-pyramidal environment. In the crystal, a series of intramolecular C—H...O and C—H...Cl hydrogen bonds are observed in each tetranuclear monomeric unit, which is connected to four tetranuclear monomeric units by intermolecular C—H...O hydrogen bonds, thus forming a planar two-dimensional structure in the (\overline{1}01) plane.

scholarly journals Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(4-methylpyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1′-biphenyl]-4′,2-diyl]}porphyrinato)nickel(II) dichloromethane x-solvate (x > 1/2)

2019 ◽  
Vol 75 (10) ◽  
pp. 1558-1563
Author(s):  
Florian Gutzeit ◽  
Tjorge Neumann ◽  
Christian Näther ◽  
Rainer Herges
Keyword(s):  
Crystal Structure ◽  
Pyridine Ring ◽  
Structural Model ◽  
Coordination Geometry ◽  
Pyridine Nitrogen Atom ◽  
Apical Position ◽  
Acta Cryst ◽  
Pyridine Nitrogen ◽  
Related Compounds ◽  
Porphyrin Moiety

The title compound, [Ni(C64H33F10N5S2)]·xCH2Cl2, consists of discrete NiII porphyrin complexes, in which the five-coordinate NiII cations are in a distorted square-pyramidal coordination geometry. The four porphyrin nitrogen atoms are located in the basal plane of the pyramid, whereas the pyridine N atom is in the apical position. The porphyrin plane is strongly distorted and the NiII cation is located above this plane by 0.241 (3) Å and shifted in the direction of the coordinating pyridine nitrogen atom. The pyridine ring is not perpendicular to the N4 plane of the porphyrin moiety, as observed for related compounds. In the crystal, the complexes are linked via weak C—H...F hydrogen bonds into zigzag chains propagating in the [001] direction. Within this arrangement cavities are formed, in which highly disordered dichloromethane solvate molecules are located. No reasonable structural model could be found to describe this disorder and therefore the contribution of the solvent to the electron density was removed using the SQUEEZE option in PLATON [Spek (2015). Acta Cryst. C71, 9–18].

scholarly journals Crystal structure of dichlorido-1κCl,2κCl-(μ2-3,5-dimethyl-1H-pyrazolato-1κN 2:2κN 1)(3,5-dimethyl-1H-pyrazole-2κN 2){μ-2-[(2-hydroxyethyl)amino-1κ2 N,O]ethanolato-1:2κ2 O:O}dicopper(II)

2020 ◽  
Vol 76 (9) ◽  
pp. 1503-1507
Author(s):  
Oleksandr S. Vynohradov ◽  
Vadim A. Pavlenko ◽  
Inna S. Safyanova ◽  
Kateryna Znovjyak ◽  
Sergiu Shova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Hydrogen Bonds ◽  
Hydroxyl Group ◽  
Pyridine Nitrogen Atom ◽  
Oh Groups ◽  
Trigonal Bipyramidal ◽  
Tetrahedral Environment ◽  
Pyridine Nitrogen ◽  
Cl Atom

The title compound, [Cu2(C5H7N2)(C4H10NO2)Cl2(C5H8N2)], is a pyrazolate aminoalcohol complex which contains two dimethylpyrazole molecules in monodentate and bidentate-bridged coordination modes and a monodeprotonated diethanolamine molecule. Both copper atoms are involved in the formation of non-planar five-membered chelate rings. One Cu atom is in a distorted tetrahedral environment formed by the pyridine nitrogen atom of the protonated dimethylpyrazole molecule, the N atom of the deprotonated bridged dimethylpyrazole, the Cl atom and the bridged O atom of the monodeprotonated diethanolamine. The second Cu atom has an intermediate environment between trigonal bipyramidal and square pyramidal, formed by the N atom of the deprotonated bridged dimethylpyrazole, the Cl atom and the N atom of the aminoalcohol, and two O atoms of the deprotonated and protonated OH groups. In the crystal, N—H...Cl hydrogen bonds link the molecules into antisymmetric chains running along the a-axis direction. Adjacent chains are connected by O—H...O hydrogen bonds involving the hydroxyl group as donor.

In situ nanoscale visualization of solvent effects on molecular crystal surfaces

CrystEngComm ◽  
2021 ◽  
Author(s):  
Mikkel Herzberg ◽  
Anders Støttrup Larsen ◽  
Tue Hassenkam ◽  
Anders Østergaard Madsen ◽  
Jukka Rantanen
Keyword(s):  
Solid Solution ◽  
Solvent Effects ◽  
Molecular Crystal ◽  
Rational Design ◽  
Molecular Level ◽  
Molecular Crystals ◽  
Crystal Surfaces ◽  
Solution Interface ◽  
Atomic Force

Solvents can dramatically affect molecular crystals. Obtaining favorable properties for these crystals requires rational design based on molecular level understanding of the solid-solution interface. Here we show how atomic force...

In-situ formed Co from Co-Mg-O solid solution synergizing with LiH for efficient ammonia synthesis

2021 ◽  
Author(s):  
Wenbo Gao ◽  
Sheng Feng ◽  
Hanxue Yan ◽  
Qianru Wang ◽  
Hua Xie ◽  
...  
Keyword(s):  
Solid Solution ◽  
Metal Nanoparticles ◽  
Magnesium Oxide ◽  
Ammonia Synthesis ◽  
Oxide Solid Solution ◽  
In Situ Formation

A cobalt magnesium oxide solid solution (Co-Mg-O) supported LiH catalyst has been synthesized, in which LiH functions both as a strong reductant for in-situ formation of Co metal nanoparticles and...

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