scholarly journals Crystal structure of a trigonal polymorph of aquadioxidobis(pentane-2,4-dionato-κ2 O,O′)uranium(VI)

2022 ◽  
Vol 78 (1) ◽  
Author(s):  
Alejandro Hernandez ◽  
Indranil Chakraborty ◽  
Gabriela Ortega ◽  
Christopher J. Dares
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Equatorial Plane ◽  
Title Compound ◽  
Uranium Atom ◽  
Intermolecular Hydrogen Bonding ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Acta Cryst

The title compound, [UO2(acac)2(H2O)] consists of a uranyl(VI) unit ([O=U=O]2+) coordinated to two monoanionic acetylacetonate (acac, C5H7O2) ligands and one water molecule. The asymmetric unit includes a one-half of a uranium atom, one oxido ion, one-half of a water molecule and one acac ligand. The coordination about the uranium atom is distorted pentagonal–bipyramidal. The acac ligands and Ow atom comprise the equatorial plane, while the uranyl O atoms occupy the axial positions. Intermolecular hydrogen bonding between complexes results in the formation of two-dimensional hexagonal void channels along the c-axis direction with a diameter of 6.7 Å. The monoclinic (P21/c space group) polymorph was reported by Alcock & Flanders [(1987). Acta Cryst. C43, 1480–1483].

Bis(μ-1H-benzimidazole-5,6-dicarboxylato)bis[tetraaquadicobalt(II)] pentahydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2657-m2658 ◽  
Author(s):  
Yu-Lin Lo ◽  
Wen-Chieh Wang ◽  
Gon-Ann Lee ◽  
Yen-Hsiang Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Type Complex

The title compound, [Co2(C9H4N2O4)2(H2O)8]·5H2O, contains two CoII ions that are bridged by two 1H-benzimidazole-5,6-dicarboxylate ligands to form an M 2 L 2 type complex (M = metal and L = ligand). There are two crystallographically distinct M 2 L 2 units, each on an inversion centre, along with coordinated and uncoordinated water molecules, in the asymmetric unit. The CoII ions are octahedral. Extensive hydrogen bonding exists between the complex and water molecules, and this helps to stabilize the crystal structure. One water molecule is disordered over two sites with occupancies 0.84:0.16.

scholarly journals Crystal structure of 8-(4-methylphenyl)-2′-deoxyadenosine hemihydrate

2018 ◽  
Vol 74 (1) ◽  
pp. 1-5 ◽  
Author(s):  
Ajaykumar V. Ardhapure ◽  
Yogesh S. Sanghvi ◽  
Yulia Borozdina ◽  
Anant Ramakant Kapdi ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
The Other ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Independent Molecules

In the asymmetric unit, equalling the unit cell (triclinic,P1,Z= 1), two molecules of the title compound, 8-(4-methylphenyl)-D-2′-deoxyadenosine, C17H19N5O3, are present, with distinct conformations of the two sugar moieties, together with one solvent water molecule. All three ribose O atoms are involved in hydrogen bonding and the crystal packing is largely determined by hydrogen-bonding or hydrogen–heteroatom interactions (O—H...O, O—H...N, N—H...O, C—H...O and C—H...N) with one independent molecule directly linked to four neighbouring molecules and the other molecule directly linked to six neighbouring molecules. The two independent molecules of the asymmetric unit display three weak intramolecular C—H-to-heteroatom contacts, two of which are very similar despite the different conformations of the deoxyribosyl moieties. The aromatic ring systems of both molecules are in proximity to each other and somehow aligned, though not coplanar. The absolute structures of the two molecules were assumed with reference to the reactant 8-bromo-D-2′-deoxyadenosine as they could not be determined crystallographically.

2′,7′-Di-4-pyridylspiro[cyclopropane-1,9′-fluorene] hemihydrate

2006 ◽  
Vol 62 (7) ◽  
pp. o3013-o3014 ◽  
Author(s):  
Zi-Xing Wang ◽  
Hai-Yao Lin ◽  
Ping Lu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
One Dimensional ◽  
Solvent Water ◽  
Compound C

The asymmetric unit of the crystal structure of the title compound, C25H18N2·0.5H2O, contains two independent dipyridylspiro(cyclopropanefluorene) (CPF) molecules and one solvent water molecule. The two CPF molecules show significantly different dihedral angles between the pyridine rings and fluorene plane. The water molecule links with the CPF molecules via O—H...N hydrogen bonding to form a one-dimensional supramolecular chain.

scholarly journals Poly[μ6-(naphthalene-2,6-dicarboxylato)-bis(aqualithium)]

2014 ◽  
Vol 70 (8) ◽  
pp. m288-m288
Author(s):  
Lionel Fédèle ◽  
Frédéric Sauvage ◽  
Matthieu Becuwe ◽  
Jean-Noël Chotard
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Carboxylate Groups

The title compound, [Li2(C12H6O4)(H2O)2]n, crystallizes with one half of the molecular entities in the asymmetric unit. The second half is gererated by inversion symmetry. The crystal structure has a layered arrangement built from distorted edge-sharing LiO3(OH)2tetrahedra parallel to (100), with naphthalenedicarboxylate bridging the LiO3(OH)2layers along the [100] direction. Hydrogen bonding between the water molecule and adjacent carboxylate groups consolidates the packing.

scholarly journals 5-Amino-1-(2′,3′-O-isopropylidene-D-ribityl)-1H-imidazole-4-carboxamide: a crystal structure withZ′ = 4

2017 ◽  
Vol 73 (2) ◽  
pp. 183-187 ◽  
Author(s):  
Vincenzo Piccialli ◽  
Nicola Borbone ◽  
Giorgia Oliviero ◽  
Gennaro Piccialli ◽  
Stefano D'Errico ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Intramolecular Hydrogen ◽  
Similar Conformation

The title compound, C12H20N4O5, crystallizes in the monoclinic space groupP21, with four crystallographically independent molecules in the asymmetric unit. The four molecules have a very similar conformation that is basically determined by the formation of two intramolecular hydrogen bonds between the amino NH2donors and the carbonyl and ring O-atom acceptors, forming, respectively,R(6) andR(7) ring motifs.. In the crystal, intermolecular hydrogen bonding leads to the formation ofR22(10) ring patterns, involving one amide CONH2donor and an imidazole N-atom acceptor. The cluster of the four independent molecules has approximate non-crystallographicC2point symmetry. The structural analysis also shows that during the synthesis of the title compound, the reductive cleavage of the D-ribose ring of the inosine precursor proceeds stereoselectively, with retention of configuration.

Aqua(8-hydroxy-7-iodoquinoline-5-sulfonato-κ2 N,O 8)silver(I) dihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. m1036-m1037 ◽  
Author(s):  
Hai-Yan Liu ◽  
Hua Wu ◽  
Jian-Fang Ma
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Coordination Geometry ◽  
Intermolecular Hydrogen Bonding ◽  
Three Dimensional Structure ◽  
Sulfonate Anion

In the title compound, [Ag(C9H5INO4S)(H2O)]·2H2O, the AgI cation has a highly distorted trigonal–planar coordination geometry, with N and O donor atoms from a bidentate 8-hydroxy-7-iodoquinoline-5-sulfonate anion ligand and one O atom from a water molecule. In the crystal structure, the molecules are linked together through extensive intermolecular hydrogen bonding, forming a three-dimensional structure.

scholarly journals Crystal structure of diaquabis(2-chloropyridine-κN)bis(thiocyanato-κN)nickel(II)

2016 ◽  
Vol 72 (10) ◽  
pp. 1492-1494 ◽  
Author(s):  
Stefan Suckert ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
Weak Interactions ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Hydrogen Bonding Interactions

The asymmetric unit of the title compound, [Ni(NCS)2(C5H4ClN)2(H2O)2], consists of one nickel(II) cation that is located on a center of inversion and one thiocyanate anion, one water molecule and one 2-chloropyridine ligand all occupying general positions. The NiIIcation is octahedrally coordinated by two terminal N-bound thiocyanato ligands, two aqua ligands and two N-bound 2-chloropyridine ligands into discrete complexes. Individual complexes are linked by intermolecular O—H...S and O—H...Cl hydrogen-bonding interactions into a layered network extending parallel to thebcplane. Weak interactions of types C—H...S and C—H...Cl consolidate the crystal packing.

scholarly journals Crystal structure and Hirshfeld surface analysis of the hydrated 2:1 adduct of piperazine-1,4-diium 3,5-dinitro-2-oxidobenzoate and piperazine

2022 ◽  
Vol 78 (2) ◽  
Author(s):  
Veerappan Subha ◽  
Thangaraj Seethalakshmi ◽  
Thangavelu Balakrishnan ◽  
M Judith Percino ◽  
Perumal Venkatesan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Hirshfeld Surface ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Piperazine Ring ◽  
Supramolecular Architectures ◽  
Relative Contribution ◽  
Intermolecular Contacts

The crystal structure of the adduct piperazine-1,4-diium 3,5-dinitro-2-oxidobenzoate–piperazine–water (2/1/2) shows the existence of a 3,5-dinitrosalicylate dianion (DNSA2−) and a protonated piperazine-1,4-diium cation (PIP2+) along with a piperazine molecule. The formula of the title adduct in the asymmetric unit is 2C4H12N2 2+·2C7H2N2O7 2−·C4H10N2·2H2O with Z = 1. The piperazine ring in the piperazine-1,4-diium cation and in the neutral piperazine molecule adopt chair conformations. All O atoms in the DNSA2− moiety and the water molecule act as hydrogen-bonding acceptors for various intermolecular O—H...O, N—H...O and C—H...O interactions, which stabilize the crystal structure. Various supramolecular architectures formed by the different intermolecular interactions are discussed. The relative contribution of various intermolecular contacts is analysed with the aid of two-dimensional (full and decomposed) fingerprint plots, indicating that H...O/O...H (50.2%) and H...H (36.2%) contacts are the major contributors to the stabilization of the crystal structure.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

3-n-Butyl-2-methoxy-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

2006 ◽  
Vol 62 (4) ◽  
pp. o1319-o1320 ◽  
Author(s):  
Min-Hui Cao ◽  
Sheng-Zhen Xu ◽  
Yang-Gen Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Thiophene Ring ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules

The title compound, C15H16N2O2S, contains a five-membered thiophene ring fused to a benzene ring and a substituted pyrimidinone ring. All three rings in each of the independent molecules of the asymmetric unit lie in approximately the same plane. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonding and π–π stacking interactions.

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