scholarly journals Crystal structure of poly[N,N-diethyl-2-hydroxyethan-1-aminium [μ3-cyanido-κ3C:C:N-di-μ-cyanido-κ4C:N-dicuprate(I)]]

2016 ◽  
Vol 72 (7) ◽  
pp. 892-896 ◽  
Author(s):  
Peter W. R. Corfield ◽  
Emma Cleary ◽  
Joseph F. Michalski
Keyword(s):  
Crystal Structure ◽  
Close Contact ◽  
Three Dimensional ◽  
The Other ◽  
Molecular Formula ◽  
Charge Neutrality ◽  
The Third ◽  
Compound C ◽  
Covalent Interactions ◽  
Centrosymmetric Dimers

In the title compound, {(C6H16NO)[Cu2(CN)3]}n, the cyanide groups link the CuIatoms into an open three-dimensional anionic network, with the molecular formula Cu2(CN)3−. One CuIatom is tetrahedrally bound to four CN groups, and the other CuIatom is bonded to three CN groups in an approximate trigonal-planar coordination. The tetrahedrally coordinated CuIatoms are linked into centrosymmetric dimers by the C atoms of two end-on bridging CN groups which bring the CuIatoms into close contact at 2.5171 (7) Å. Two of the cyanide groups bonded to the CuIatoms with trigonal-planar surrounding link the dimeric units into columns along theaaxis, and the third links the columns together to form the network. TheN,N-diethylethanolamine molecules used in the synthesis have become protonated at the N atoms and are situated in cavities in the network, providing charge neutrality, with no covalent interactions between the cations and the anionic network.

A novel one-dimensional CoIIcoordination polymer:catena-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κO)cobalt(II)]-μ-4,4′-bipyridine-κ2N:N′] [[triaqua(sulfato-κO)cobalt(II)]-μ-4,4′-bipyridine-κ2N:N′]]

2012 ◽  
Vol 68 (9) ◽  
pp. m265-m268 ◽  
Author(s):  
Kai-Long Zhong ◽  
Ming-Yi Qian
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Sulfate Ion ◽  
Sulfate Ions ◽  
One Dimensional ◽  
The Third ◽  
Hydrogen Bonding Interactions

The title compound, {[Co(H2O)6][Co(SO4)(C10H8N2)(H2O)3][Co(SO4)2(C10H8N2)(H2O)2]}n, contains three crystallographically unique CoIIcentres, all of which are in six-coordinated environments. One CoIIcentre is coordinated by two bridging 4,4′-bipyridine (4,4′-bipy) ligands, one sulfate ion and three aqua ligands. The second CoIIcentre is surrounded by two N atoms of two 4,4′-bipy ligands and four O atoms,i.e.two O atoms from two monodentate sulfate ions and two from water molecules. The third CoIIcentre forms part of a hexaaquacobalt(II) ion. In the crystal structure, there are two different one-dimensional chains, one being anionic and the other neutral, and adjacent chains are arranged in a cross-like fashion around the mid-point of the 4,4′-bipy ligands. The structure features O—H...O hydrogen-bonding interactions between sulfate anions and water molecules, resulting in a three-dimensional supramolecular network.

scholarly journals Crystal structure of 8-hydroxyquinoline: a new monoclinic polymorph

2014 ◽  
Vol 70 (9) ◽  
pp. o924-o925 ◽  
Author(s):  
Raúl Castañeda ◽  
Sofia A. Antal ◽  
Sergiu Draguta ◽  
Tatiana V. Timofeeva ◽  
Victor N. Khrustalev
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Room Temperature ◽  
Three Dimensional ◽  
Solvent Mixture ◽  
Acta Cryst ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Dimers

In an attempt to grow 8-hydroxyquinoline–acetaminophen co-crystals from equimolar amounts of conformers in a chloroform–ethanol solvent mixture at room temperature, the title compound, C9H7NO, was obtained. The molecule is planar, with the hydroxy H atom forming an intramolecular O—H...N hydrogen bond. In the crystal, molecules form centrosymmetric dimersviatwo O—H...N hydrogen bonds. Thus, the hydroxy H atoms are involved in bifurcated O—H...N hydrogen bonds, leading to the formation of a central planar four-membered N2H2ring. The dimers are bound by intermolecular π–π stacking [the shortest C...C distance is 3.2997 (17) Å] and C—H...π interactions into a three-dimensional framework. The crystal grown represents a new monoclinic polymorph in the space groupP21/n. The molecular structure of the present monoclinic polymorph is very similar to that of the orthorhombic polymorph (space groupFdd2) studied previously [Roychowdhuryet al.(1978).Acta Cryst.B34, 1047–1048; Banerjee & Saha (1986).Acta Cryst.C42, 1408–1411]. The structures of the two polymorphs are distinguished by the different geometries of the hydrogen-bonded dimers, which in the crystal of the orthorhombic polymorph possess twofold axis symmetry, with the central N2H2ring adopting a butterfly conformation.

scholarly journals Crystal structure of 2-{[(5-nitrothiophen-2-yl)methylidene]amino}phenol

2015 ◽  
Vol 71 (6) ◽  
pp. o418-o418 ◽  
Author(s):  
Figen Koçak ◽  
Hasan Tanak ◽  
Erbil Ağar ◽  
Onur Erman Doğan ◽  
Namık Özdemir
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Amino Phenol ◽  
Graph Set ◽  
Centrosymmetric Dimers ◽  
Ring Motif

The title compound, C11H8N2O3S, is roughly planar; the dihedral angle between the planes of the thiophene and benzene rings is 8.38 (10)°. An intramolecular O—H...N hydrogen bond generates anS(5) ring motif. In the crystal, molecules are linked into centrosymmetric dimers by pairs of O—H...O hydrogen bonds with anR22(22) graph-set motif. Aromatic π–π stacking interactions [centroid–centroid separations = 3.653 (3) and 3.852 (3) Å] link the dimers into a three-dimensional network.

scholarly journals Crystal structure of 5-(1-benzofuran-2-yl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-ol

2015 ◽  
Vol 71 (7) ◽  
pp. o492-o493
Author(s):  
A. J. Ravi ◽  
A. C. Vinayaka ◽  
S. Jeyaseelan ◽  
M. P. Sadashiva ◽  
H. C. Devarajegowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C18H15NO3, the isoxazole moiety adopts a shallow envelope conformation, with the C atom bearing the OH group displaced by 0.148 (1) Å from the mean plane through the other four atoms. The mean plane of this ring (all atoms) subtends dihedral angles of 87.19 (6) and 15.51 (7)° with the benzofuran ring system (r.m.s. deviation = 0.007 Å) and the 4-methylphenyl ring, respectively. In the crystal, molecules are linked by O—H...N hydrogen bonds, generating [001]C(5) chains, with adjacent molecules in the chain related byc-glide symmetry. Weak C—H...O interactions link the chains into a three-dimensional network.

scholarly journals 1-(4-Nitrophenyl)-2-({4-phenyl-5-[(p-tolyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Elham A. Al-Taifi ◽  
Manpreet Kaur ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Jerry P. Jasinski
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centrosymmetric Dimers ◽  
Ring Motif

In the crystal structure of the title compound, C24H21N5O4S, centrosymmetric dimers with an R 2 2(16) ring motif, lying in the (010) plane, are formed as a result of pairwise N—H...N hydrogen bonds. These dimers further interact through C—H...O and C—H...π interactions to construct a complex extended three-dimensional structure.

scholarly journals (5RS)-5-(4-Methoxyphenyl)-2-(methylsulfanyl)benzo[g]pyrimido[4,5-b]quinoline-4,6,11(3H,5H,12H)-trione, withZ′ = 3, forms a three-dimensional hydrogen-bonded framework containing five types of hydrogen bond

2013 ◽  
Vol 70 (1) ◽  
pp. 50-54 ◽  
Author(s):  
Yelder A. Castillo ◽  
Luis F. Zapata ◽  
Jorge Trilleras ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
The Other ◽  
Framework Structure ◽  
Structural Element ◽  
Molecular Conformations ◽  
The Third ◽  
Compound C ◽  
Independent Molecules

The title compound, C23H17N3O4S, crystallizes withZ′ = 3 in the space groupP\overline{1}. Two of the three independent molecules are broadly similar in terms of both their molecular conformations and their participation in hydrogen bonds, but the third molecule differs from the other two in both of these respects. The molecules are linked by a combination of N—H...O, N—H...N, C—H...O, C—H...N and C—H...π(arene) hydrogen bonds to form a continuous three-dimensional framework structure within which a centrosymmetric six-molecule aggregate can be identified as a key structural element.

scholarly journals Poly[[diaquadeca-μ2-cyanido-κ20C:N-hexacyanido-κ6C-bis(μ2-5-methylpyrimidine-κ2N:N′)bis(5-methylpyrimidine-κN)tricopper(II)ditungstate(V)] dihydrate]

2014 ◽  
Vol 70 (2) ◽  
pp. m47-m48
Author(s):  
Yoshihide Tsunobuchi ◽  
Souhei Kaneko ◽  
Koji Nakabayashi ◽  
Shin-ichi Ohkoshi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Polyhedron ◽  
Three Dimensional ◽  
Title Complex ◽  
Trigonal Prism ◽  
The Other ◽  
Water Molecules ◽  
The Third ◽  
Dimensional Network

In the title complex, {[Cu3[W(CN)8]2(C5H6N2)4(H2O)2]·2H2O}n, the coordination polyhedron of the eight-coordinated WVatom is a bicapped trigonal prism, in which five CN groups are bridged to CuIIions, and the other three CN groups are terminally bound. Two of the CuIIions lie on a centre of inversion and each of the three independent CuIIcations is pseudo-octahedrally coordinated. In the crystal structure, cyanido-bridged-Cu—W—Cu layers are linked by pillars involving the third independent CuIIion, generating a three-dimensional network with non-coordinating water molecules and 5-methylpyrimidine molecules. O—H...O and O—H...N hydrogen bonds involve the coordinating and non-coordinating water molecules, the CN groups and the 5-methylpyrimidine molecules.

scholarly journals Crystal structure of (–)-methyl (R,E)-4-[(2R,4R)-2-amino-2-trichloromethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylbut-2-enoate

2017 ◽  
Vol 73 (7) ◽  
pp. 983-986
Author(s):  
Takeshi Oishi ◽  
Mayu Kidena ◽  
Tomoya Sugai ◽  
Takaaki Sato ◽  
Noritaka Chida
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
The Other ◽  
Side Chain ◽  
Compound C ◽  
Dimensional Network ◽  
Sheet Structure ◽  
The Mean ◽  
Graph Set

In the title compound, C10H14Cl3NO5, the five-membered dioxolane ring adopts an envelope conformation with the C atom bonded to the butenoate side chain as the flap. It deviates from the mean plane of the other atoms in the ring by 0.446 (6) Å. In the crystal, molecules are connected by O—H...O hydrogen bonds into helical chains running along theb-axis direction. The chains are linked into a sheet structure parallel to (001) by an N—H...O hydrogen bond. These classical hydrogen bonds enclose anR44(24) graph-set motif in the sheet structure. Furthermore, a weak intermolecular C—H...Cl interaction expands the sheet structures into a three-dimensional network.

scholarly journals Ammonium imidazolium dichromate

2012 ◽  
Vol 68 (4) ◽  
pp. m389-m389 ◽  
Author(s):  
Run-Qiang Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Dimensional Structure ◽  
Compound C ◽  
The Mean ◽  
Anions And Cations ◽  
Dichromate Anions

In the crystal structure of the title compound, (C3H5N2)(NH4)[Cr2O7], the anions and cations are linked through N—H...O hydrogen bonds, resulting in a three-dimensional structure which contains three kinds of layers parallel to (001). One layer contains imidazole cations, the other two layers the ammonium cations and dichromate anions. The dichromate anion has an eclipsed conformation with a dihedral angle of 14.65 (18)° between the mean planes of the O—P—O—P—O backbone.

scholarly journals Crystal structure of ethyl 6-(2-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl-1,3-diazinane-5-carboxylate

2015 ◽  
Vol 71 (5) ◽  
pp. o268-o269 ◽  
Author(s):  
M. S. Krishnamurthy ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
The Other ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H14F4N2O3S, the central dihydropyrimidine ring adopts a sofa conformation with the C atom bearing the 2-fluorobenzene ring displaced by 0.596 (3) Å from the other five atoms. The 2-fluorobenzene ring is positioned axially and bisects the pyrimidine ring with a dihedral angle of 70.92 (8)°. The molecular conformation is stabilized by an intramolecular O—H...O hydrogen bond, generating anS(6) ring. The crystal structure features C—H...F, N—H...S and N—H...O hydrogen bonds, which link the molecules into a three-dimensional network.

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