scholarly journals Synthesis and crystal structure of ((E)-{2-[(E)-(4-hydroxynaphthalen-1-yl)methylidene]hydrazin-1-yl}(methylsulfanyl)methylidene)azanium hydrogen sulfate monohydrate

2016 ◽  
Vol 72 (9) ◽  
pp. 1326-1329 ◽  
Author(s):  
Oussama Nehar ◽  
Samira Louhibi ◽  
Leila Boukli-Hacene ◽  
Thierry Roisnel
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Sulfuric Acid ◽  
Three Dimensional ◽  
Hydrogen Sulfate ◽  
Synthesis And Crystal Structure ◽  
Sulfuric Acid Medium ◽  
Dimensional Network ◽  
Molecular Skeleton ◽  
Molecular Salt

In the title hydrated molecular salt, C13H14N3S+·HSO4−·H2O, the protonation of the azomethine N atom in sulfuric acid medium involves the formation of the bisulfate anion. The molecular structure of the cation is obtained from the thiol tautomer of thiosemicarbazone wherein the naphthalene moiety and the conjugation of the bonds contribute to the planarity of the molecular skeleton. In the crystal, the cation, anion and water molecule of crystallization are linked by a series of O—H...O and N—H...O hydrogen bonds, forming a three-dimensional network. Within this network, there are also C—H...π interactions present involving symmetry-related naphthalene rings.

scholarly journals Synthesis and crystal structure of (E)-2-({2-[azaniumylidene(methylsulfanyl)methyl]hydrazinylidene}methyl)benzene-1,4-diol hydrogen sulfate

2019 ◽  
Vol 75 (11) ◽  
pp. 1738-1740
Author(s):  
Oussama Nehar ◽  
Samira Louhibi ◽  
Thierry Roisnel
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Three Dimensional ◽  
Hydrogen Sulfate ◽  
Synthesis And Crystal Structure ◽  
Sulfate Anion ◽  
Sulfuric Acid Medium ◽  
Dimensional Network ◽  
Molecular Salt ◽  
Methyl Benzene

The title molecular salt, C9H12N3O2S+·HSO4 −, was obtained through the protonation of the azomethine N atom in a sulfuric acid medium. The crystal comprises two entities, a thiosemicarbazide cation and a hydrogen sulfate anion. The cation is essentially planar and is further stabilized by a strong intramolecular O—H...N hydrogen bond. In the crystal, a three-dimensional network is established through O—H...O and N—H...O hydrogen bonds. A weak intermolecular C—H...O hydrogen bond is also observed. The hydrogen sulfate anion exhibits disorder over two sets of sites and was modelled with refined occupancies of 0.501 (6) and 0.499 (6).

scholarly journals Crystal structure of tris(piperidinium) hydrogen sulfate sulfate

2015 ◽  
Vol 71 (12) ◽  
pp. 1444-1446 ◽  
Author(s):  
Tamara J. Lukianova ◽  
Vasyl Kinzhybalo ◽  
Adam Pietraszko
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Hydrogen Sulfate ◽  
Sulfate Ion ◽  
Sulfate Anion ◽  
Dimensional Network ◽  
Molecular Salt

In the title molecular salt, 3C5H12N+·HSO4−·SO42−, each cation adopts a chair conformation. In the crystal, the hydrogen sulfate ion is connected to the sulfate ion by a strong O—H...O hydrogen bond. The packing also features a number of N—H...O hydrogen bonds, which lead to a three-dimensional network structure. The hydrogen sulfate anion accepts four hydrogen bonds from two cations, whereas the sulfate ion, as an acceptor, binds to five separate piperidinium cations, forming seven hydrogen bonds.

scholarly journals Synthesis and structural characterization of hexa-μ2-chlorido-μ4-oxido-tetrakis{[4-(phenylethynyl)pyridine-κN]copper(II)} dichloromethane monosolvate

2021 ◽  
Vol 77 (1) ◽  
pp. 42-46
Author(s):  
Rayya A. Al Balushi ◽  
Muhammad S. Khan ◽  
Md. Serajul Haque Faizi ◽  
Ashanul Haque ◽  
Kieran Molloy ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structural Characterization ◽  
Title Compound ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
The Core ◽  
Dimensional Network ◽  
Packing Arrangement

In the crystal structure of the title compound, [Cu4Cl6O(C13H9N)4]·CH2Cl2, the core molecular structure consists of a Cu4 tetrahedron with a central interstitial O atom. Each edge of the Cu4 tetrahedron is bridged by a chlorido ligand. Each copper(II) cation is coordinated to the central O atom, two chlorido ligands and one N atom of the 4-phenylethynylpyridine ligand. In the crystal, the molecules are linked by intermolecular C—H...Cl interactions. Furthermore, C—H...π and π–π interactions also connect the molecules, forming a three-dimensional network. Hirshfeld surface analysis indicates that the most important contributions for the packing arrangement are from H...H and C...H/H...C interactions.

scholarly journals Crystal structure of quinolinium 2-carboxy-6-nitrobenzoate monohydrate

2015 ◽  
Vol 71 (5) ◽  
pp. o270-o271 ◽  
Author(s):  
J. Mohana ◽  
M. Divya Bharathi ◽  
G. Ahila ◽  
G. Chakkaravarthi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Carboxy Group ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the anion of the title hydrated molecular salt, C9H8N+·C8H4NO6−·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56 (5) and 6.86 (8)°, respectively, with the attached benzene ring, whereas the deprotonated carboxy group is almost orthogonal to it with a dihedral angle of 80.21 (1)°. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating [001] chains. The packing is consolidated by weak C—H...N and C—H...O interactions as well as aromatic π–π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] interactions, resulting in a three-dimensional network.

Crystal and Molecular Structure of 3-Iodo-2-propynyl-N-butylcarbamate

1997 ◽  
Vol 52 (2) ◽  
pp. 256-258 ◽  
Author(s):  
Evgeni V. Avtomonov ◽  
Rainer Grüning ◽  
Jörg Lorberth
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network ◽  
Carbamate Group ◽  
Oxygen Atoms

Abstract The crystal structure of the title compound has been determined by X-ray diffraction methods. Due to the Lewis acidic character of the iodine substituent a “zig-zag” chain is formed via intermolecular interactions (2.933(4) A) between iodine and oxygen atoms of theocarbamate moiety. A three-dimensional network is formed through hydrogen-bridging (2.04 A) between NH-groups and the oxygen atoms of the neighbouring carbamate group of the next molecule.

scholarly journals Crystal structure of 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one

2015 ◽  
Vol 71 (1) ◽  
pp. o12-o13
Author(s):  
Sevim Türktekin Çelikesir ◽  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Habib Allah Shafie ◽  
Ömer Çelik
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Lactam Ring

In the title compound, C22H18N2O5, the central β-lactam ring (r.m.s. deviation = 0.002 Å) makes dihedral angles of 64.21 (14), 82.35 (12) and 20.66 (13)° with the phenyl ring and the nitro- and methoxybenzene rings, respectively. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming slabs lying parallel to (111). The slabs are linkedviaC—H...π interactions, forming a three-dimensional network.

scholarly journals Synthesis and Crystal Structure of the New Telluric Acid Adduct (RbCl)3·Te(OH)6

2012 ◽  
Vol 67 (1) ◽  
pp. 1-4
Author(s):  
Dirk Mahlmeister ◽  
Elisabeth Irran
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
Tellurium Atom ◽  
Synthesis And Crystal Structure ◽  
Dimensional Network ◽  
Tricapped Trigonal Prism ◽  
Acid Adduct ◽  
Oxygen Atoms

The new telluric acid adduct (RbCl)3 ・ Te(OH)6 was prepared by dissolving RbCl and Te(OH)6 in the molar ratio of 3 : 1 in deionized water at r. t. and slow evaporation of the solvent in air. The crystal structure of the colorless crystals was determined with single-crystal X-ray diffraction (trigonal space group: R3̄c (no. 167), a = 14.4392(8), c = 10.4301(16) Å , Z = 6). In (RbCl)3 ・ Te(OH)6, the rubidium atom is surrounded by five chlorine and four oxygen atoms in form of an irregular tricapped trigonal prism. Each tellurium atom is octahedrally surrounded by six oxygen atoms. The Te(OH)6 octahedra and the RbCl5O4 polyhedra are linked to a dense three-dimensional network which is additionally strengthened by hydrogen bonds.

scholarly journals Crystal structure of 2-[2-phenyl-1-(phenylsulfonyl)ethyl]-1-phenylsulfonyl-1H-indole

2015 ◽  
Vol 71 (12) ◽  
pp. o910-o911
Author(s):  
M. Umadevi ◽  
Potharaju Raju ◽  
R. Yamuna ◽  
Arasambattu K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C28H23NO4S2, the indole ring system (r.m.s. deviation = 0.007 Å) subtends dihedral angles of 78.69 (13) and 38.97 (13)° with the planes of the N- and C-bonded sulfonylbenzene rings, respectively, and these two benzene rings are inclined to each other at an angle of 65.45 (16)°. The methylene-linked phenyl ring is twisted at an angle of 81.80 (13)° from the indole ring. The molecular structure features two short intramolecular C—H...O contacts, which both generateS(6) rings. In the crystal, molecules are linked by C—H...O hydrogen bonds and C—H...π interactions, generating a three-dimensional network.

scholarly journals Crystal structure of (1S,4S)-2,5-diazoniabicyclo[2.2.1]heptane dibromide

2017 ◽  
Vol 73 (12) ◽  
pp. 1861-1865
Author(s):  
Sergey N. Britvin ◽  
Andrey M. Rumyantsev
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Charge Balance ◽  
Piperazine Ring ◽  
Dimensional Network ◽  
Bromide Ions ◽  
Catalytic Applications

The cage of 2,5-diazabicyclo[2.2.1]heptane is frequently employed in synthetic chemistry as a rigid bicyclic counterpart of the piperazine ring. The 2,5-diazabicyclo[2.2.1]heptane scaffold is incorporated into a variety of compounds having pharmacological and catalytic applications. The unsubstituted parent ring of the system, 2,5-diazabicyclo[2.2.1]heptane itself, has not been structurally characterized. We herein report on the molecular structure of the parent ring in (1S,4S)-2,5-diazoniabicyclo[2.2.1]heptane dibromide, C5H12N22+·2Br−. The asymmetric unit contains two crystallographically independent cages of 2,5-diazabicyclo[2.2.1]heptane. Each cage is protonated at the two nitrogen sites. The overall charge balance is maintained by four crystallographically independent bromide ions. In the crystal, the components of the structure are linkedviaa complex three-dimensional network of N—H...Br hydrogen bonds.

scholarly journals Synthesis and crystal structure of a new hybrid organic–inorganic material containing neutral molecules, cations and heptamolybdate anions

2019 ◽  
Vol 75 (7) ◽  
pp. 1001-1004 ◽  
Author(s):  
Bougar Sarr ◽  
Abdou Mbaye ◽  
Wally Diallo ◽  
Cheikh Abdoul Khadir Diop ◽  
Mamadou Sidibe ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Acid Solution ◽  
Inorganic Material ◽  
Three Dimensional ◽  
Cluster Anion ◽  
Water Molecules ◽  
Ammonium Heptamolybdate ◽  
Synthesis And Crystal Structure ◽  
Dimensional Network

The title compound, hexakis(2-methyl-1H-imidazol-3-ium) heptamolybdate 2-methyl-1H-imidazole disolvate dihydrate, (C4H7N2)6[Mo7O24]·2C4H6N2·2H2O, was prepared from 2-methylimidazole and ammonium heptamolybdate tetrahydrate in acid solution. The [Mo7O24]6− heptamolybdate cluster anion is accompanied by six protonated (C4H7N2)+ 2-methylimidazolium cations, two neutral C4H6N2 2-methylimidazole molecules and two water molecules of crystallization. The cluster consists of seven distorted MoO6 octahedra sharing edges or vertices. In the crystal, the components are linked by N—H...N, N—H...O, O—H...O, N—H...(O,O) and O—H...(O,O) hydrogen bonds, generating a three-dimensional network. Weak C—H...O interactions consolidate the packing.

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