scholarly journals Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-bromophenol (1/2)

2015 ◽  
Vol 71 (5) ◽  
pp. 463-465 ◽  
Author(s):  
Augusto Rivera ◽  
Juan Manuel Uribe ◽  
Jicli José Rojas ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
The Other ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Species Association ◽  
Crystalline Adduct ◽  
Aminal Cage

The structure of the 1:2 co-crystalline adduct C8H16N4·2C6H5BrO, (I), from the solid-state reaction of 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD) and 4-bromophenol, has been determined. The asymmetric unit of the title co-crystalline adduct comprises a half molecule of aminal cage polyamine plus a 4-bromophenol molecule. A twofold rotation axis generates the other half of the adduct. The primary inter-species association in the title compound is through two intermolecular O—H...N hydrogen bonds. In the crystal, the adducts are linked by weak non-conventional C—H...O and C—H...Br hydrogen bonds, giving a two-dimensional supramolecular structure parallel to thebcplane.

scholarly journals Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding

2017 ◽  
Vol 73 (11) ◽  
pp. 1692-1695 ◽  
Author(s):  
Augusto Rivera ◽  
Jicli José Rojas ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Supramolecular Assembly ◽  
The Other ◽  
Asymmetric Unit ◽  
Framework Structure ◽  
Halogen Bonds ◽  
Crystalline Adduct ◽  
Aminal Cage

The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)–4-iodophenol (1/2), C8H16N4·2C6H5IO, comprises a half molecule of the aminal cage polyamine plus a 4-iodophenol molecule. A twofold rotation axis generates the other half of the adduct. The components are linked by two intermolecular O—H...N hydrogen bonds. The adducts are further linked into a three-dimensional framework structure by a combination of N...I halogen bonds and weak non-conventional C—H...O and C—H...I hydrogen bonds.

scholarly journals Crystal structure of ammonium 3′-azido-3′-deoxythymidine-5′-aminocarbonylphosphonate hemihydrate: an anti-HIV agent

2014 ◽  
Vol 70 (11) ◽  
pp. 396-399
Author(s):  
Maxim V. Jasko ◽  
Galina V. Gurskaya ◽  
Marina K. Kukhanova ◽  
Ivan S. Bushmarinov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Amide Group ◽  
The Other ◽  
Asymmetric Unit ◽  
Anti Hiv

The asymmetric unit of the title compound, NH4+·C11H14N6O7P−·0.5H2O, contains one 3′-azido-3′-deoxythymidine-5′aminocarbonylphosphonate (ACP–AZT) anion, half of an NH4+cation lying on a twofold rotation axis and in another position, occupied with equal probabilities of 0.5, an NH4+cation and a water molecule. The amide group of the ACP–AZT anion is disordered (occupancy ratio 0.5:0.5), with one part forming an N—H...O (involving C=O...H4N+) hydrogen bond and the other an O—H...N (involving C—NH2...OH2) hydrogen bond with the components of the split NH4+/H2O position. The pseudorotation parameters of ACP–AZT set it apart from previously studied AZT and thymidine. In the crystal, the various components are linked by N—H...O, O—H...O, N—H...N, C—H...O and C—H...N hydrogen bonds, forming a three-dimensional framework.

scholarly journals Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: Ag1.655Co1.64Fe1.36(PO4)3

2017 ◽  
Vol 73 (6) ◽  
pp. 890-892 ◽  
Author(s):  
Adam Bouraima ◽  
Thomas Makani ◽  
Abderrazzak Assani ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
General Position ◽  
Rotation Axis ◽  
The Other ◽  
Solid State Reactions ◽  
Asymmetric Unit ◽  
Cobalt Iron ◽  
Iron Based ◽  
Cationic Disorder

The new silver-, cobalt- and iron-based phosphate, silver cobalt iron tris(orthophosphate), Ag1.655Co1.64Fe1.36(PO4)3, was synthesized by solid-state reactions. Its structure is isotypic to that of Na2Co2Fe(PO4)3, and belongs to the alluaudite family, with a partial cationic disorder, the AgIatoms being located on an inversion centre and twofold rotation axis sites (Wyckoff positions 4aand 4e), with partial occupancies of 0.885 (2) and 0.7688 (19), respectively. One of the two P atoms in the asymmetric unit completely fills one 4esite while the Co and Fe atoms fill another 4esite, with partial occupancies of 0.86 (5) and 0.14 (5), respectively. The remaining Co2+and Fe3+cations are distributed on a general position, 8f, in a 0.39 (4):0.61 (4) ratio. All O atoms and the other P atoms are in general positions. The structure is built up from zigzag chains of edge-sharing [MO6] (M= Fe/Co) octahedra stacked parallel to [101]. These chains are linked together through PO4tetrahedra, forming polyhedral sheets perpendicular to [010]. The resulting framework displays two types of channels running along [001], in which the AgIatoms (coordination number eight) are located.

scholarly journals 7,7′,8,8′-Tetramethoxy-4,4′-dimethyl-3,3′-bicoumarin

2009 ◽  
Vol 65 (6) ◽  
pp. o1294-o1295
Author(s):  
Hoong-Kun Fun ◽  
Samuel Robinson Jebas ◽  
Mehtab Parveen ◽  
Zakia Khanam ◽  
Raza Murad Ghalib
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Related Part ◽  
Methoxy Groups

In the crystal structure, the title compound, C24H22O8, lies on a twofold rotation axis and the asymmetric unit comprises one half-molecule. The dihedral angle formed by the coumarin unit with the symmetry-related part is 74.78 (14)°. One of the methoxy groups attached to the coumarin unit is considerably twisted, making an angle of 87.17 (17)° with respect to the coumarin unit; the other is twisted by 0.66 (19)°. No classical hydrogen bonds are found in the sturcture; only a weak C—H...π interaction and short intramolecular O...O contacts [2.683 (2)–2.701 (2) Å] are observed.

scholarly journals Crystal structure of 2-methylpiperazine-1,4-diium bis(hydrogen maleate)

2015 ◽  
Vol 71 (3) ◽  
pp. o193-o194
Author(s):  
Intissar Wecharine ◽  
Arto Valkonen ◽  
Mohamed Rzaigui ◽  
Wajda Smirani Sta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Layered Structures ◽  
Two Dimensional ◽  
Asymmetric Unit

In the title salt, C5H14N22+·2C4H3O4−, the asymmetric unit contains two independent 2-methylpiperazinium dications, which comprise a racemic pair, and four hydrogen maleate monoanions. In the roughly planar hydrogen maleate anions, intramolecular O—H...O hydrogen bonds generateS(7) rings. In the crystal, the four independent anions are linked to the 2-methylpiperazinium cations through N—H...O hydrogen bonds, forming two-dimensional layered structures lying parallel to (001).

Poly[deca-μ2-cyanido-dicyanidobis(μ2-ethylenediamine)bis(ethylenediamine)tricadmium(II)dicobalt(III)]: a two-dimensional coordination polymer

2009 ◽  
Vol 65 (3) ◽  
pp. m118-m120
Author(s):  
Olha Sereda ◽  
Helen Stoeckli-Evans
Keyword(s):  
Coordination Polymer ◽  
Network Structure ◽  
General Position ◽  
Rotation Axis ◽  
Three Dimensional ◽  
The Other ◽  
Dimensional Structure ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network

The title coordination polymer, [Cd3Co2(CN)12(C2H8N2)4]n, has an infinite two-dimensional network structure. The asymmetric unit is composed of two crystallographically independent CdIIatoms, one of which is located on a twofold rotation axis. There are two independent ethylenediamine (en) ligands, one of which bis-chelates to the Cd atom that sits in a general position, while the other bridges this Cd atom to that sitting on the twofold axis. The Cd atom located on the twofold rotation axis is linked to four equivalent CoIIIatomsviacyanide bridges, while the Cd atom that sits in a general position is connected to three equivalent CoIIIatomsviacyanide bridges. In this way, a series of trinuclear, tetranuclear and pentanuclear macrocycles are linked to form a two-dimensional network structure lying parallel to thebcplane. In the crystal structure, these two-dimensional networks are linkedviaN—H...N hydrogen bonds involving an en NH2H atom and a cyanide N atom, leading to the formation of a three-dimensional structure. This coordination polymer is only the second example involving a cyanometallate where the en ligand is present in both chelating and bridging coordination modes.

scholarly journals [Bis(pyridin-2-ylmethyl)amine-κ3 N,N′,N′′]tricarbonylrhenium(I) bromide hemihydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m741-m742
Author(s):  
Marietjie Schutte ◽  
Theunis J. Muller ◽  
Hendrik G. Visser ◽  
Andreas Roodt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Bromide Ion ◽  
Amine Ligand

The title compound, fac-[Re(C12H12N3)(CO)3]Br·0.5H2O, crystallizes with a cationic rhenium(I) unit, a bromide ion and half a water molecule, situated on a twofold rotation axis, in the asymmetric unit. The ReI atom is facially surrounded by three carbonyl ligands and a tridentate bis(pyridin-2-ylmethyl)amine ligand in a distorted octahedral environment. N—H...Br, O—H...Br, C—H...O and C—H...Br hydrogen bonds are present in the crystal structure and π–π stacking is also observed [centroid–centroid distances = 3.669 (1) Å and 4.054 (1) Å], giving rise to a three-dimentional network. The molecules pack in a head-to-head fashion along the ac plane.

2,5-Dibromopyridinium hexabromidostannate(IV)

2007 ◽  
Vol 63 (3) ◽  
pp. m892-m894 ◽  
Author(s):  
Basem Fares Ali ◽  
Rawhi Al-Far
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Distorted Octahedral

The asymmetric unit of the title compound, (C5H4Br2N)2[SnBr6], contains one cation and one half-anion. The anion exhibits a distorted octahedral arrangement about the Sn atom, which lies on a crystallographic twofold rotation axis. In the crystal structure, intermolecular hydrogen bonds and short Br...Br interactions cause the formation of a supramolecular architecture, in which they may be effective in the stabilization of the structure.

scholarly journals 2,2′-(Piperazine-1,4-diyl)diethanaminium dibenzoate

2012 ◽  
Vol 68 (8) ◽  
pp. o2389-o2389
Author(s):  
Ignacy Cukrowski ◽  
Adedapo S. Adeyinka ◽  
David C. Liles
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Intermolecular Interactions ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Two Component ◽  
Anions And Cations ◽  
Benzoate Anion

The asymmetric unit of the title salt C8H22N42+·2C7H5O2−, comprises two independent pairs of half a 2,2′-(piperazine-1,4-diyl)diethanaminium dication plus a benzoate anion. The dications are symmetrical and lie across crystallographic centres of inversion. The crystal structure was refined as a two-component pseudo-merohedral twin using the twin law 001 0-10 100 [he domain fractions are 0.8645 (8) and 0.1355 (8)]. The anions and cations are linked by N—H...O hydrogen bonds and weak N—H...O intermolecular interactions to form infinite two-dimensional networks parallel to [101]. The conformation adopted by the cation in the crystal structure is very similar to that adopted by the same cation in the structures of the 2-hydroxybenzoate [Cukrowskiet al.(2012).Acta Cryst, E68, o2387], the nitrate and the tetrahydrogen pentaborate salts.

scholarly journals Crystal structure ofN-carbamothioyl-2-methylbenzamide

2015 ◽  
Vol 71 (6) ◽  
pp. o425-o425 ◽  
Author(s):  
Farook Adam ◽  
Nadiah Ameram ◽  
Wai Mun Tan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C

There are two molecules in the asymmetric unit of the title compound, C9H10N2OS. In one, the dihedral angle between the aromatic ring and the carbamothioyl group is 52.31 (7)° and in the other it is 36.16 (6)°. Each molecule features an intramolecular N—H...O hydrogen bond, which generates anS(6) ring and the O and S atoms have anantidisposition. In the crystal, molecules are linked by N—H...S and N—H...O hydrogen bonds, generating separate [130] and [1-30] infinite chains. Weak C—H...O and C—H...S interactions are also observed.

Sign in / Sign up

Export Citation Format

Share Document