scholarly journals Crystal structure of (N,N′-ethylenebis{3-[2-(3-nitrophenyl)hydrazin-1-ylidene]-4-oxopentan-2-iminato})copper(II)–3-[2-(3-nitrophenyl)hydrazin-1-ylidene]pentane-2,4-dione (1/1)

2019 ◽  
Vol 75 (6) ◽  
pp. 834-837
Author(s):  
Jan Marten ◽  
Wilhelm Seichter ◽  
Edwin Weber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title 1 ◽  
Axis Direction ◽  
Supramolecular Networks ◽  
Oxygen Atoms

In the title 1:1 co-crystal, [Cu(C24H24N8O6)]·C11H11N3O4, each of the crystal components forms undulating layers which stack alternately along the b-axis direction. Molecules of the CuII complex are connected via C—H...O hydrogen bonds involving the nitro and keto oxygen atoms, thus forming supramolecular networks. Molecules of the arylhydrazone component are linked by C—H...O interactions into zigzag strands showing no interstrand association.

scholarly journals Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol

2022 ◽  
Vol 78 (2) ◽  
Author(s):  
C. John McAdam ◽  
Jim Simpson
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Axis Direction ◽  
Alkane Chain

The racemic title compound, [Fe(C5H5)(C16H27O2)], comprises an α,ω-diol-substituted undecyl chain with a ferrocenyl substituent at at one terminus. The alkane chain is inclined to the substituted ring of the ferrocene grouping by 84.22 (13)°. The ferrocene rings are almost eclipsed and parallel. The crystal structure features O—H...O and C—H...O hydrogen bonds and C—H...π contacts that stack the molecules along the c-axis direction. A Hirshfeld surface analysis reveals that H...H interactions (83.2%) dominate the surface contacts.

scholarly journals Crystal structure of tolylfluanid

2014 ◽  
Vol 70 (10) ◽  
pp. o1114-o1115
Author(s):  
Seonghwa Cho ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dimethylamino Group ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Cl Atom

The title compound, C10H13Cl2FN2O2S2{systematic name:N-[(dichlorofluoromethyl)sulfanyl]-N′,N′-dimethyl-N-p-tolylsulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the dimethylamino group and that of the benzene ring is 32.3 (3)°. One Cl atom and one F atom of the dichlorofluoromethylthio group are disordered over two sets of sites with an occupancy ratio of 0.605 (9):0.395 (9). In the crystal structure, two C—H...Cl hydrogen bonds link adjacent molecules, forming dimers withR22(14) loops. C—H...O hydrogen bonds link pairs of dimers into chains along theb-axis direction. These chains are joined by an additional C—H...O contact, generating a sheet in theabplane.

Komplexe mit substituierten 2,5-Dihydroxy-p-benzochinonen: EA[C6(NO2)2O4] · H2O (EA = Ca, Sr)/ Complexes with Substituted 2,5-D ihydroxy-p-benzoquinones: EA [C6(NO2)2O4] · 4H2O(EA = Ca, Sr)

1987 ◽  
Vol 42 (8) ◽  
pp. 972-976 ◽  
Author(s):  
Christian Robl
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Single Crystals ◽  
Coordination Sphere ◽  
Trigonal Prism ◽  
Water Molecules ◽  
Additional Water ◽  
Oxygen Atoms

AbstractSingle crystals of EA[Q(NO2)2O4] · 4H2O (EA = Ca. Sr) were grown in aqueous silicagel. Ca2+ has CN 8. It is surrounded by 4 oxygen atoms of two bis-chelating [C6(NO2)2O4]2- ions and 4 water molecules, which form a distorted, bi-capped trigonal prism. Sr2+ is coordinated similarly, with an additional water molecule joining the coordination sphere to yield CN 8+1. Corrugated chains extending along [010] and consisting of EA2+ and nitranilate ions are the main feature of the crystal structure. Adjacent chains are interlinked by hydrogen bonds.

scholarly journals Crystal structure of tetraethyl 27,30-dioxo-7,12,20,25-tetra-tert-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.11,5.14,8.110,14.114,18.117,21]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o778-o779
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omran A. Omran ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
A Chain

The asymmetric unit of the title compound, C54H64O12S4, consists of one half of the molecule, which is located on an inversion centre. The heterocyclic six-membered ring adopts a distorted envelope conformation with the spiro C atom as the flap. In the crystal, molecules are linked by weak C—H...O hydrogen bonds with anR22(14) motif, forming a chain along theb-axis direction.

scholarly journals Crystal structure of μ-oxalodihydroxamato-bis[(2,2′-bipyridyl)(dimethyl sulfoxide-κO)copper(II)] bis(perchlorate)

2016 ◽  
Vol 72 (2) ◽  
pp. 147-150
Author(s):  
Irina A. Odarich ◽  
Anna V. Pavlishchuk ◽  
Valentina A. Kalibabchuk ◽  
Matti Haukka
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Binuclear Complex ◽  
Axis Direction ◽  
Electrical Neutrality

The centrosymmetric binuclear complex, [Cu2(C2H2N2O4)(C10H8N2)2(C2H6OS)2](ClO4)2, contains two copper(II) ions, connected through an N-deprotonated oxalodihydroxamic acid dianion, two terminal 2,2′-bipyridine ligands, and two apically coordinating dimethylsulfoxide molecules. Two non-coordinating perchlorate anions assure electrical neutrality. The copper(II) ions in the complex dication [Cu2(C10H8N2)2(μ-C2H2N2O4)(C2H6SO)2]2+are in an O2N3square-pyramidal donor environment, the Cu–Cu separation being 5.2949 (4) Å. Two hydroxamate groups in the deprotonated oxalodihydroxamic acid are locatedtransto one each other. In the crystal, O—H...O and C—H...O hydrogen bonds link the complex cations to the perchlorate anions. Further C—H...O hydrogen bonds combine with π–π contacts with a centroid-to-centroid separation of 3.6371 (12) Å to stack the molecules along thea-axis direction.

The crystal structure of ferrinatrite, Na3(H2O)3[Fe(SO4)3] and its relationship to Maus's salt, (H3O)2K2{K0.5(H2O)0.5}6[Fe3O(H2O)3(SO46](OH)2

1977 ◽  
Vol 41 (319) ◽  
pp. 375-383 ◽  
Author(s):  
F. Scordari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Three Dimensional ◽  
Iron Ions ◽  
Space Group ◽  
R Value ◽  
Oxygen Atoms

SummaryFerrinatrite crystallizes in space group P, with a = 15·566(5), c = 8·69(1) Å, and Z = 6. The crystal structure was solved by three-dimensional Patterson and Fourier syntheses, and refined by least squares employing 2378 independent reflexions to a final R value of 0·068. The iron ions occupy special positions and are surrounded octahedrally by oxygen atoms. Fe3+O6 octahedra and SO4, tetrahedra are linked together to form infinite chains of Fe-O-S linkages in the [0001] direction. These chains are linked to each other by [NaO5(H2O)2] polyhedra and probably by hydrogen bonds. The topology of the arrangement is the same as that of the hypothetical P312 structure proposed by Moore and Araki (1974).

scholarly journals 4-Bromobenzoic acid–6-(4-bromophenyl)-3-methyl-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole (1/1)

2012 ◽  
Vol 68 (4) ◽  
pp. o1185-o1186
Author(s):  
Kamini Kapoor ◽  
Vivek K. Gupta ◽  
Satya Paul ◽  
Seema Sahi ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Maximum Deviation ◽  
Carboxyl Group ◽  
Stacking Interactions ◽  
Acid Molecule ◽  
Ring Plane ◽  
Title 1 ◽  
Benzene Ring Plane

In the title 1:1 co-crystal, C10H7BrN4S·C7H5BrO2, the triazolothiadiazole system is approximately planar [with a maximum deviation of 0.030 (4) Å] and forms a dihedral angle of 8.6 (1)° with the bromophenyl ring. In the carboxylic acid molecule, the carboxyl group is rotated by 6.4 (3)° out of the benzene ring plane. The crystal structure features O—H...N and C—H...O hydrogen bonds, π–π stacking interactions [centroid–centroid distances = 3.713 (2), 3.670 (2) and 3.859 (3) Å] and short S...N [2.883 (4) Å] contacts.

scholarly journals Crystal structure of (E)-N-phenyl-N′-[1-(thiophen-2-yl)ethylidene]formohydrazide

2014 ◽  
Vol 70 (9) ◽  
pp. o928-o929
Author(s):  
C. S. Dileep ◽  
K. R. Raghavendra ◽  
N. K. Lokanath ◽  
K. Ajay Kumar ◽  
M. A. Sridhar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Helical Chain ◽  
Axis Direction ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C13H12N2OS, the planes of the thiophene and phenyl rings are nearly perpendicular to each other, making a dihedral angle of 86.42 (12)°. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming a helical chain along theb-axis direction.

Crystal Structure Studies on Arylsulphonamides and N-Chloro-Arylsulphonamides

2007 ◽  
Vol 62 (7-8) ◽  
pp. 417-424
Author(s):  
Basavalinganadoddy Thimme Gowda ◽  
Sabine Foro ◽  
Jozef Kožíšek ◽  
Hartmut Fuess ◽  
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Sodium Salt ◽  
Molecular Geometry ◽  
Asymmetric Unit ◽  
Sodium Salts ◽  
Lattice Constants ◽  
Oxygen Atoms

The effect of ring substitution and N-chlorination on the molecular geometry of arylsulphonamides and N-chloro-arylsulphonamides have been studied by determining the crystal structures of 2-methyl- 4-chloro-benzenesulphonamide (2M4CBSA) and the sodium salt of N-chloro-2-methyl-4-chlorobenzenesulphonamide (NaNC2M4CBSA). The results are analyzed along with the crystal structures of benzenesulphonamide, 4-methyl-benzenesulphonamide and 4-chloro-benzenesulphonamide. The crystal structure of NaNC2M4CBSA has also been compared and correlated with the crystal structures of the above compounds and those of the sodium salts of N-chloro-benzenesulphonamide, Nchloro- 4-methyl-benzenesulphonamide, N-chloro-4-chloro-benzenesulphonamide and N-chloro-2,4- dichloro-benzenesulphonamide. The crystal system, space group, formula units and lattice constants in Å of the new structures are: 2M4CBSA: triclinic, P1, Z = 4, a = 7.9030(10), b = 8.6890(10), c = 13.272(2), α = 100.680(10)°, β = 98.500(10)°, γ = 90.050(10)°; NaNC2M4CBSA: monoclinic, C2/c, Z =4, a = 10.9690(10), b = 6.7384(6), c = 30.438(2), β = 98.442(7)°. The structure of 2M4CBSA is quite complex with four molecules in its asymmetric unit. The S-N bond length slightly decreases with substitution of electron-withdrawing groups, while the effect is more pronounced with disubstitution. The structure of NaNC2M4CBSA confirms that there is no interaction between nitrogen and sodium, and Na+ is attached to one of the sulphonyl oxygen atoms. The Na+ coordination sphere involves oxygen atoms from water moleculess of crystallization and neighbouring molecules. The S-N distance of 1.586 Å for the compound is consistent with a S-N double bond. The molecules are held together by hydrogen bonds with distances varying from 2.12 to 2.85 Å.

4,4′-Bipyridyl–2-chloro-4-nitrobenzoic acid (1/2)

2007 ◽  
Vol 63 (11) ◽  
pp. o4500-o4500 ◽  
Author(s):  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title 1 ◽  
Nitrobenzoic Acid

In the crystal structure of the title 1:2 cocrystal, C10H8N2·2C7H4ClNO4, the two components are held together by short O—H...N hydrogen bonds. The pyridine rings of the bipyridyl molecule are twisted by 27.90 (5)° with respect to each other. The 1:2 units are connected by C—H...O hydrogen bonds, forming a centrosymmetric supramolecular ring.

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