scholarly journals Bis(3,5-di-tert-butyl-4H-1,2,4-triazol-4-amine-κN 1)(nitrato-κO)silver(I) ethanol monosolvate monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m731-m731
Author(s):  
Ya-Mei Liu ◽  
Jing-Huo Chen ◽  
Guang Yang ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Lattice Water Molecule ◽  
Solvent Molecule ◽  
Coordination Geometry ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Acceptor ◽  
Lattice Water ◽  
Linear Coordination

The AgI atom in the title compound, [Ag(NO3)(C10H20N4)2]·C2H5OH·H2O, is coordinated by the N atoms of two N-heterocycles [N—Ag—N = 151.5 (1)°]; the approximately linear coordination geometry is distorted into a T-shaped geometry owing to a long Ag...Onitrate bond [2.717 (4) Å]. The N atoms of the N-heterocycles that are not involved in coordination point towards the lattice water molecule, which functions as a hydrogen-bond donor. The water molecule itself is a hydrogen-bond acceptor towards the ethanol solvent molecule. Hydrogen bonds of the type N–H...O give rise to a layer motif parallel to (001).

6,9-Dibromo-2a,10b-diphenyl-2a,5,10,10b-tetrahydro-2H,3H-2,3,4a,10a-tetraazabenzo[g]cyclopenta[cd]azulene-1,4-dione monohydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1754-o1755
Author(s):  
Neng-Fang She ◽  
Sheng-Li Hu ◽  
Hui-Zhen Guo ◽  
An-Xin Wu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Acceptor ◽  
Compound C ◽  
Bifurcated Hydrogen Bond

The title compound, C24H18Br2N4O2·H2O, forms a supramolecular structure via N—H...O, O—H...O and C—H...O hydrogen bonds. In the crystal structure, the water molecule serves as a bifurcated hydrogen-bond acceptor and as a hydrogen-bond donor.

Hirshfeld surface analysis of two new phosphorothioic triamide structures

2015 ◽  
Vol 71 (9) ◽  
pp. 824-833 ◽  
Author(s):  
Amir Hossein Alamdar ◽  
Mehrdad Pourayoubi ◽  
Anahid Saneei ◽  
Michal Dušek ◽  
Monika Kučeráková ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Solvent Molecule ◽  
Hirshfeld Surface ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Acceptor ◽  
Double Hydrogen ◽  
Negligible Contribution

Hirshfeld surfaces and two-dimensional fingerprint plots are used to analyse the intermolecular interactions in two new phosphorothioic triamide structures, namelyN,N′,N′′-tris(3,4-dimethylphenyl)phosphorothioic triamide acetonitrile hemisolvate, P(S)[NHC6H3-3,4-(CH3)2]3·0.5CH3CN or C24H30N3PS·0.5CH3CN, (I), andN,N′,N′′-tris(4-methylphenyl)phosphorothioic triamide–3-methylpiperidinium chloride (1/1), P(S)[NHC6H4(4-CH3)]3·[3-CH3-C5H9NH2]+·Cl−or C21H24N3PS·C6H14N+·Cl−, (II). The asymmetric unit of (I) consists of two independent phosphorothioic triamide molecules and one acetonitrile solvent molecule, whereas for (II), the asymmetric unit is composed of three components (molecule, cation and anion). In the structure of (I), the different components are organized into a six-molecule aggregate through N—H...S and N—H...N hydrogen bonds. The components of (II) are aggregated into a two-dimensional array through N—H...S and N—H...Cl hydrogen bonds. Moreover, interesting features of packing arise in this structure due to the presence of a double hydrogen-bond acceptor (the S atom of the phosphorothioic triamide molecule) and of a double hydrogen-bond donor (the N—H unit of the cation). For both (I) and (II), the full fingerprint plot of each component is asymmetric as a consequence of the presence of three fragments. These analyses reveal that H...H interactions [67.7 and 64.3% for the two symmetry-independent phosphorothioic triamide molecules of (I), 30.7% for the acetonitrile solvent of (I), 63.8% in the phosphorothioic triamide molecule of (II) and 62.9% in the 3-methylpiperidinium cation of (II)] outnumber the other contacts for all the components in both structures, except for the chloride anion of (II), which only receives the Cl...H contact. The phosphorothioic triamide molecules of both structures include unsaturated C atoms, thus presenting C...H/H...C interactions: 17.6 and 21% for the two symmetry-independent phosphorothioic triamide molecules in (I), and 22.7% for the phosphorothioic triamide molecule of (II). Furthermore, the N—H...S hydrogen bonds in both (I) and (II), and the N—H...Cl hydrogen bonds in (II), are the most prominent interactions, appearing as large red spots on the Hirshfeld surface maps. The N...H/H...N contacts in structure (I) are considerable, whereas for (II), they give a negligible contribution to the total interactions in the system.

scholarly journals 4-[(E)-2-(2,4-Dichlorobenzylidene)hydrazin-1-yl]quinolin-1-ium chloride monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1232-o1233 ◽  
Author(s):  
Solange M. S. V. Wardell ◽  
Edward R. T. Tiekink ◽  
James L. Wardell ◽  
Marcelle de Lima Ferreira ◽  
Marcus V. N. de Souza
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Torsion Angle ◽  
Lattice Water Molecule ◽  
Three Dimensional ◽  
Lattice Water ◽  
Hydrated Salt ◽  
Centroid Distance ◽  
Chloride Monohydrate

In the title hydrated salt, C16H12Cl2N3+·Cl−·H2O, there is a small twist in the cation as seen in the torsion angle linking the benzene ring to the rest of the molecule [171.96 (17)°]. In the crystal, the quinolinium H atom forms a hydrogen bond to the lattice water molecule, which also forms hydrogen bonds to two Cl−anions. Each Cl−ion also accepts a hydrogen bond from the hydrazine H atom. The three-dimensional architecture is also stabilized by π–π interactions between centrosymmetrically related quinoline residues [centroid–centroid distance = 3.5574 (11) Å].

scholarly journals cis-(Nitrato-κ2O,O′)(2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)cadmium nitrate hemihydrate

2012 ◽  
Vol 68 (4) ◽  
pp. m494-m495 ◽  
Author(s):  
Tapashi G. Roy ◽  
Saroj K. S. Hazari ◽  
Babul Chandra Nath ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Lattice Water Molecule ◽  
Rotation Axis ◽  
Macrocyclic Ligand ◽  
Nitrate Anion ◽  
Cadmium Nitrate ◽  
Coordination Geometry ◽  
Lattice Water ◽  
Distorted Octahedral

The CdIIatom in the title complex, [Cd(NO3)(C18H40N4)]NO3·0.5H2O, is coordinated within acis-N4O2donor set provided by the tetradentate macrocyclic ligand and two O atoms of a nitrate anion; the coordination geometry is distorted octahedral. The lattice water molecule is located on a twofold rotation axis. N—H...O hydrogen bonds and weak C—H...O interactions link the complex cations into a supramolecular layer in thebcplane. Layers are connected by O—H...O hydrogen bonds between the lattice water molecule and the non-coordinating nitrate anion, as well as by weak C—H...O contacts.

More examples of the 15-crown-5...H2O—M—OH2...15-crown-5 motif, M = Al3+, Cr3+ and Pd2+

2010 ◽  
Vol 66 (2) ◽  
pp. 213-221 ◽  
Author(s):  
Maxime A. Siegler ◽  
Jacob H. Prewitt ◽  
Steven P. Kelley ◽  
Sean Parkin ◽  
John P. Selegue ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Lattice Water Molecule ◽  
Literature Survey ◽  
The Other ◽  
Water Molecules ◽  
Lattice Water ◽  
Hydrogen Bonding Pattern ◽  
Hydrogen Bonded

Five structures of co-crystals grown from aqueous solutions equimolar in 15-crown-5 (or 15C5) and [M(H2O)6](NO3) n , M = Al3+, Cr3+ and Pd2+, are reported. The hydrogen-bonding patterns in all are similar: metal complexes including the fragment trans-H2O—M—OH2 alternate with 15C5 molecules, to which they are hydrogen bonded, to form stacks. A literature survey shows that this hydrogen-bonding pattern is very common. In each of the two polymorphs of the compound [Al(H2O)6](NO3)3·15C5·4H2O there are two independent cations; one forms hydrogen bonds directly to the 15C5 molecules adjacent in the stack, while the other cation is hydrogen-bonded to two water molecules that act as spacers in the stack. These stacks are then crosslinked by hydrogen bonds formed by the three nitrate counterions and the three lattice water molecules. The hydrogen-bonded stacks in [Cr(H2O)5(NO3)](NO3)2·1.5(15C5)·H2O are discrete rather than infinite; each unit contains two Cr3+ complex cations and three 15C5 molecules. These units are again crosslinked by the uncoordinated nitrate ions and a lattice water molecule. In [Pd(H2O)2(NO3)2]·15C5 the infinite stacks are electrically neutral and are not crosslinked. In [Pd(H2O)2(NO3)2]·2(15C5)·2H2O·2HNO3 a discrete, uncharged unit containing one Pd complex and two 15C5 molecules is `capped off' at either end by a lattice water molecule and an included nitric acid molecule. In all five structures the infinite stacks or discrete units form an array that is at least approximately hexagonal.

scholarly journals (Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (7) ◽  
Author(s):  
Yassir Filali Baba ◽  
Youssef Kandri Rodi ◽  
Younes Ouzidan ◽  
Joel T. Mague ◽  
Fouad Ouazzani Chahdi ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Lattice Water Molecule ◽  
Axis Direction ◽  
Lattice Water ◽  
Disordered Lattice ◽  
Compound C

In the title compound, C22H17N3O3·0.5H2O, the heterocyclic portion of the dihydroquinoline moiety is distinctly nonplanar. Two quinolinecarboxylate molecules are associated through hydrogen bonding to a disordered lattice water molecule. These units stack along the a-axis direction assisted by C—H...O and C—H...N hydrogen bonds, as well as C—H...π(ring) interactions.

scholarly journals N,N,N′,N′-Tetrakis(pyridin-4-yl)methanediamine monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. o1600-o1600
Author(s):  
Jong Won Shin ◽  
Kil Sik Min
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Organic Molecules ◽  
Lattice Water Molecule ◽  
Face To Face ◽  
Π Interactions ◽  
Twofold Axis ◽  
Lattice Water ◽  
Compound C

In the title compound, C21H18N6·H2O, two 4,4′-dipyridylamine groups are linked by a methylene C atom, which sits on a twofold axis. The lattice water molecule is located slightly off a twofold axis, and is therefore disordered over two positions. In the crystal, the organic molecules and the water molecule are linked by O—H...N hydrogen bonds. The organic molecules exhibit extensive offset face-to-face π–π interactions to symmetry equivalents [centroid–centroid distances = 3.725 (3) and 4.059 (3) Å].

scholarly journals Bis(1H-benzimidazole-κN3)bis[2-(naphthalen-1-yl)acetato-κ2O,O′]nickel(II) monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. m416-m416
Author(s):  
Fu-Jun Yin ◽  
Li-Jun Han ◽  
Zhao Hong ◽  
Xing-You Xu ◽  
Li Ren
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Lattice Water Molecule ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Octahedral Geometry ◽  
Acetate Anion ◽  
Asymmetric Unit ◽  
Lattice Water

In the title compound, [Ni(C12H9O2)2(C7H6N2)2]·H2O, The NiIIcation is located on a twofold rotation axis and is six-coordinated in a distorted NiN2O4octahedral geometry. The asymmetric unit consists of a nickel(II) ion, one 2-(naphthalen-1-yl)acetate anion, a neutral benzotriazole ligand and one half of a lattice water molecule. The crystal packing is stabilized by O—H...O and N—H...O hydrogen bonds. The title compound is isotypic with its CdIIanalogue.

scholarly journals 1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. m178-m178 ◽  
Author(s):  
Tarek Ben Rhaiem ◽  
Habib Boughzala
Keyword(s):  
Hydrogen Bond ◽  
Water Molecule ◽  
Title Compound ◽  
Lattice Water Molecule ◽  
Asymmetric Unit ◽  
Solvate Water Molecule ◽  
Lattice Water ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Anionic Species

The asymmetric unit of the title compound (C6H14N2)[CdCl4]·H2O contained one 1,4-diazabicyclo[2.2.2]octane dication, a tetrahedral CdCl42−anion and a lattice water molecule. In the crystal, the solvate water molecule interacts with the cationic and anionic speciesviaN—H...O and O—H...Cl [O...Cl = 3.289 (7) Å] hydrogen-bond interactions, respectively, leading to a layered supramolecular structure extending parallel to (011).

scholarly journals catena-Poly[[(tetraaquacadmium)-μ-4,4′-bipyridine-κ2 N:N′] 4-hydroxy-3-sulfonatobenzoate monohydrate]

2012 ◽  
Vol 68 (6) ◽  
pp. m715-m715
Author(s):  
Shan Gao ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Lattice Water Molecule ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Water Molecules ◽  
Lattice Water ◽  
Rotation Axes ◽  
Dimensional Network ◽  
Coordinated Water

The two independent CdII atoms in the polymeric title compound, [Cd(C10H8N2)(H2O)4](C7H4O6S)·H2O, lie on twofold rotation axes, and each is coordinated by four water molecules and the N atoms of two 4,4′-bipyridine molecules in an octahedral geometry. Bridging gives rise to chains along [101] and [-101]. The 4-hydroxy-3-sulfonatobenzoate dianions are not connected to the CdII atoms, but form hydrogen bonds to the coordinated water molecules as well as the lattice water molecule, generating a three-dimensional network.

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