scholarly journals Crystal structure of aquachlorido(nitrato-κ2 O,O′)[1-(pyridin-2-yl-κN)-2-(pyridin-2-ylmethylidene-κN)hydrazine-κN 2]manganase(II)

2018 ◽  
Vol 74 (4) ◽  
pp. 450-453 ◽  
Author(s):  
Mamour Sarr ◽  
Mayoro Diop ◽  
Elhadj Ibrahima Thiam ◽  
Aliou Hamady Barry ◽  
Mohamed Gaye ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Hydrogen Bonds ◽  
Interlayer Space ◽  
Three Dimensional ◽  
Pentagonal Bipyramid ◽  
Asymmetric Unit ◽  
Axial Ligands ◽  
Cl Atom

The search for novel manganese(II) compounds having interesting magnetic properties, using 1-(pyridin-2-yl)-2-(pyridin-2-ylmethylidene)hydrazine (HL) as a tridendate ligand, led to the preparation of the title mononuclear material, [MnCl(NO3)(C11H10N4)(H2O)], and the determination of its structure by XRD. The asymmetric unit comprises a discrete molecule in which the cation MnII is heptacoordinated. The environment around the cation is an almost perfect pentagonal bipyramid. The base is defined by the two N atoms of the pyridine rings, the N atom of the imino function of the ligand and the two O atoms of the chelating bidentate nitrate ligand. The apical positions are occupied by a Cl atom and a water molecule. In the crystal, there are numerous hydrogen bonds of the types Ow—H...ONO2 and C—H...ONO2, which generate layers parallel to the bc plane in which the ligands in the axial positions point into the interlayer space. These axial ligands give rise to hydrogen bonds of the types Ow—H...ONO2, Ow—H...Cl, N—H...Cl and C—H...Cl, leading to a three-dimensional framework. The chain bridging the two pyridine rings is disordered over two sets of sites in a 0.53 (2):0.47 (2) ratio.

scholarly journals Crystal structure of 1-[2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl]propan-2-ol

2017 ◽  
Vol 73 (1) ◽  
pp. 59-62 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Adel A. Marzouk ◽  
Mustafa R. Albayati ◽  
Antar A. Abdelhamid ◽  
Jim Simpson
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Cl Atom

The title compound, C24H21ClN2O, crystallizes with two unique molecules in the asymmetric unit. In each molecule, the central imidazole ring is substituted at the 2-, 4- and 5-positions by benzene rings. The 2-substituted ring carries a Cl atom at the 4-position. One of the imidazole N atoms in each molecule has a propan-2-ol substituent. In the crystal, a series of O—H...N, C—H...O and C—H...Cl hydrogen bonds, augmented by several C—H...π(ring) interactions, generate a three-dimensional network of molecules stacked along thea-axis direction.

scholarly journals Dopaminium nitrate

2014 ◽  
Vol 70 (5) ◽  
pp. o571-o572
Author(s):  
Sofian Gatfaoui ◽  
Houda Marouani ◽  
Thierry Roisnel ◽  
Hassouna Dhaouadi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Nitrate Ions ◽  
Nitrate Anions

The asymmetric unit of the title salt [systematic name: 2-(3,4-dihydroxyphenyl)ethanaminium nitrate], C8H12NO2+·NO3−, contains two independent cations and two independent nitrate anions. The crystal structure consists of discrete nitrate ions stacked in layers parallel to (010). These layers are linkedviathe dopaminium cations by O—H...O, N—H...O and weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular network.

scholarly journals Crystal structure of poly[diaquabis(μ5-benzene-1,3-dicarboxylato)(N,N-dimethylformamide)cadmium(II)disodium(I)]

2017 ◽  
Vol 73 (11) ◽  
pp. 1599-1602 ◽  
Author(s):  
Matimon Sangsawang ◽  
Kittipong Chainok ◽  
Nanthawat Wannarit
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Carboxylate Groups ◽  
Benzene Rings ◽  
Coordinated Water ◽  
Coordinate Geometry

The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2]nor [CdNa2(1,3-bdc)2(DMF)(H2O)2]n, is a new CdII–NaIheterobimetallic coordination polymer. The asymmetric unit consists of one CdIIatom, two NaIatoms, two 1,3-bdc ligands, two coordinated water molecules and one coordinated DMF molecule. The CdIIatom exhibits a seven-coordinate geometry, while the NaIatoms can be considered to be pentacoordinate. The metal ions and their symmetry-related equivalents are connectedviachelating–bridging carboxylate groups of the 1,3-bdc ligands to generate a three-dimensional framework. In the crystal, there are classical O—H...O hydrogen bonds involving the coordinated water molecules and the 1,3-bdc carboxylate groups and π–π stacking between the benzene rings of the 1,3-bdc ligands present within the frameworks.

scholarly journals m-Xylylenediaminium dinitrate

2014 ◽  
Vol 70 (4) ◽  
pp. o398-o399 ◽  
Author(s):  
Sofian Gatfaoui ◽  
Hassouna Dhaouadi ◽  
Thierry Roisnel ◽  
Mohamed Rzaigui ◽  
Houda Marouani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Organic Cations ◽  
Asymmetric Unit ◽  
Nitrate Ions ◽  
Dimensional Network ◽  
Nitrate Anions

The asymmetric unit of the title salt, C8H14N22+·2NO3−, contains two independent dications and four independent nitrate anions. The crystal structure consists of discrete nitrate ions, three of which stack in layers parallel to (001) atz= 0 and 0.5. These layers are connectedvia m-xylylenediaminium dications. The fourth anion is sandwiched by the two independent organic cations in the asymmetric unit. In the crystal, the ions are connected by a large number of bifurcated and non-bifurcated N—H...O(O) hydrogen bonds, forming sheets parallel to (100). These sheets are connected by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure ofN-(quinolin-6-yl)hydroxylamine

2014 ◽  
Vol 70 (11) ◽  
pp. 322-324 ◽  
Author(s):  
Anuruddha Rajapakse ◽  
Roman Hillebrand ◽  
Sarah M. Lewis ◽  
Zachary D. Parsons ◽  
Charles L. Barnes ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
A Minor

The title compound, C9H8N2O, crystallized with four independent molecules in the asymmetric unit. The four molecules are linkedviaone O—H...N and two N—H...N hydrogen bonds, forming a tetramer-like unit. In the crystal, molecules are further linked by O—H...N and N—H...O hydrogen bonds forming layers parallel to (001). These layers are linkedviaC—H...O hydrogen bonds and a number of weak C—H...π interactions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a minor twin component of 0.319.

scholarly journals 2-({[(Pyridin-1-ium-2-ylmethyl)carbamoyl]formamido}methyl)pyridin-1-ium bis(3,5-dicarboxybenzoate): crystal structure and Hirshfeld surface analysis

2016 ◽  
Vol 72 (2) ◽  
pp. 241-248 ◽  
Author(s):  
Mukesh M. Jotani ◽  
Sabrina Syed ◽  
Siti Nadiah Abdul Halim ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Carbonyl Groups ◽  
Amide Hydrogen ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
First Approximation

The asymmetric unit of the title salt, C14H16N4O22+·2C9H5O6−, comprises half a dication, being located about a centre of inversion, and one anion, in a general position. The central C4N2O2group of atoms in the dication are almost planar (r.m.s. deviation = 0.009 Å), and the carbonyl groups lie in anantidisposition to enable the formation of intramolecular amide-N—H...O(carbonyl) hydrogen bonds. To a first approximation, the pyridinium and amide N atoms lie to the same side of the molecule [Npy—C—C—Namidetorsion angle = 34.8 (2)°], and theantipyridinium rings are approximately perpendicular to the central part of the molecule [dihedral angle = 68.21 (8)°]. In the anion, one carboxylate group is almost coplanar with the ring to which it is connected [Cben—Cben—Cq—O torsion angle = 2.0 (3)°], whereas the other carboxylate and carboxylic acid groups are twisted out of the plane [torsion angles = 16.4 (3) and 15.3 (3)°, respectively]. In the crystal, anions assemble into layers parallel to (10-4)viahydroxy-O—H...O(carbonyl) and charge-assisted hydroxy-O—H...O(carboxylate) hydrogen bonds. The dications are linked into supramolecular tapes by amide-N—H...O(amide) hydrogen bonds, and thread through the voids in the anionic layers, being connected by charge-assisted pyridinium-N—O(carboxylate) hydrogen bonds, so that a three-dimensional architecture ensues. An analysis of the Hirshfeld surface points to the importance of O—H...O hydrogen bonding in the crystal structure.

scholarly journals Crystal structure of (E)-1,3-dimethyl-2-[3-(3-nitrophenyl)triaz-2-en-1-ylidene]-2,3-dihydro-1H-imidazole

2014 ◽  
Vol 70 (10) ◽  
pp. 224-227 ◽  
Author(s):  
Siddappa Patil ◽  
Alejandro Bugarin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Imidazole Ring ◽  
Asymmetric Unit ◽  
Framework Structure ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The title compound, C11H12N6O2, a π-conjugated triazene, crystallized with two independent molecules (AandB) in the asymmetric unit. Both molecules have anEconformation about the –N=N– bond and have slightly twisted overall conformations. In moleculeA, the imidazole ring is inclined to the benzene ring by 8.12 (4)°, while in moleculeBthe two rings are inclined to one another by 7.73 (4)°. In the crystal, the independent molecules are linked to each other by C—H...O hydrogen bonds, forming –A–A–A– and –B–B–B–chains along [100]. The chains are linked by C—H...O and C—H...N hydrogen bonds, forming sheets lying parallel to (001). The sheets are linked by further C—H...N hydrogen bonds and π–π interactions [centroid–centroid distance = 3.5243 (5) Å; involving the imidazole ring of molecule A and the benzene ring of moleculeB], forming a three-dimensional framework structure.

2-(4-Fluorophenoxy)-N-methylacetamide

2007 ◽  
Vol 63 (3) ◽  
pp. o1099-o1100
Author(s):  
Zhong-Hua Luo ◽  
Shan Liu ◽  
Shui-Ping Deng ◽  
Hong-Jun Zhu ◽  
Hong-Sheng Jia
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Compound C

The asymmetric unit of the title compound, C9H10FNO2, contains two molecules. Intra- and intermolecular N—H...O and C—H...F hydrogen bonds link the molecules into a three-dimensional framework; they seem to be effective in the stabilization of the crystal structure.

scholarly journals Crystal structure of (S)-5-chloro-N-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl}methyl)thiophene-2-carboxamide

2018 ◽  
Vol 74 (1) ◽  
pp. 51-54 ◽  
Author(s):  
Jie Shen ◽  
Gu-Ping Tang ◽  
Xiu-Rong Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Independent Molecules

The asymmetric unit of the crystal of the title compound (common name rivaroxaban), C19H18ClN3O5, contains two rivaroxaban molecules with different conformations; the C—C—N—C torsion angles between the oxazolidine and thiophene rings are −171.1 (7) and −106.8 (9)° in the two independent molecules. In the crystal, classical N—H...O hydrogen bonds and weak C—H...O hydrogen bonds link the molecules into a three-dimensional supramolecular architecture.

scholarly journals Benzene-1,2-diaminium bis(hydrogen phosphonate)

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Md. Zahid ◽  
R. Akilan ◽  
T. Ganesh ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Molecular Salt ◽  
Ring Motif

The asymmetric unit of the title molecular salt, C6H10N2 2+·2H2PO3 −, contains half of a benzene-1,2-diaminium cation and a phosphite anion, the complete cation being generated by a crystallographic mirror plane. In the crystal, N—H...O hydrogen bonds generate R 2 2(9) and R 2 2(8) ring motifs and O—H...O hydrogen bonds generate an R 2 2(8) ring motif. Overall, these generate a three-dimensional framework. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.8642 (7) Å].

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