scholarly journals Adamantane-Functionalized Phthalimide Scaffold: Pathways to Supramolecular Interactions and Drug Discovery

Organics ◽  
2021 ◽  
Vol 2 (4) ◽  
pp. 388-394
Author(s):  
Hamidou Keita
Keyword(s):  
Crystal Structure ◽  
Drug Discovery ◽  
Single Crystal ◽  
Benzene Ring ◽  
Driving Force ◽  
Core Structure ◽  
Supramolecular Interactions ◽  
The Novel ◽  
X Ray ◽  
X Ray Crystallography

Herein, the synthesis of a novel adamantanyl-functionalized phthalimide scaffold is demonstrated. The novel compound could be used as a precursor for various synthetic pathways owing to the generic use of adamantane substituents as the driving force for supramolecular interactions with macrocycles and N-substituted phthalimide derivatives as a core structure in numerous drugs. The adamantanyl-functionalized phthalimide scaffold contains bromide groups on the C4 and C5 positions of the benzene ring, effectively allowing further facile modifications of the scaffold. The structure was fully characterized including single-crystal X-ray crystallography. The crystal structure shows an adamantane moiety at an angle of 115.57(7)° to the phthalimide core, hence sterically freeing the adamantane unit for host–guest interactions.

Verfeinerung der Kristallstruktur von Tripalladium-di-tetrathiophospliat Pd3(PS4)2 Refinement of the Crystal Structure of Tripalladium-di-tetrathiophosphate Pda3(PS4)2

1983 ◽  
Vol 38 (4) ◽  
pp. 426-427 ◽  
Author(s):  
Arndt Simon ◽  
Karl Peters ◽  
Harry Hahn
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Type Structure ◽  
Tetrahedral Symmetry ◽  
X Ray ◽  
X Ray Crystallography ◽  
Planar Environment

Abstract The structure of the title compound has been determined by X-ray crystallography. The title compound is synthesized from the elements at 600 °C. Its crystal structure, derived from powder data [3] is refined by single crystal diffractometer data. The structure is trigonal (P3̅ml, α = 684.1(1), c = 724.4(1) pm); Pd2+ cations and PS43- anions form a network with an anti-Claudetite (AS2O3) type structure. The PS4 units are distinctly distorted from ideal tetrahedral symmetry. The Pd atoms have a planar environment of 4 S atoms.

Crystal Structure of (NH4)2[Mo3S(S2)6] Containing the Novel Isolated Cluster [MO3S13]2-

1979 ◽  
Vol 34 (3) ◽  
pp. 434-436 ◽  
Author(s):  
A. Müller ◽  
S. Pohl ◽  
M. Dartmann ◽  
J. P. Cohen ◽  
J. M. Bennett ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Aqueous Solutions ◽  
Single Crystal ◽  
Ammonium Salt ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
The Novel ◽  
Mean Values ◽  
X Ray

Abstract The novel tri-nuclear metal-sulfur cluster [Mo3S(S2)6]2- can be obtained as its ammonium salt by the reaction of a Moiv containing aqueous solutions with polysulfide. Its crystal and molecular structure has been determined by a single crystal X-ray study. The crystals are monoclinic (space group Cm, with a = 11.577(6) Å, b = 16.448(7) Å, c = 5.716(2) Å, β = 117.30(3)°, V = 967.2 Å3 , Z = 2, dexptl. = 2.54(2) g/cm3 , dcal = 2.54 g/cm3). The structure consists of isolated [Mo3S(S2)6]2- units, with three Mo atoms at the vertices of a triangle. There are bridging as well as terminal S22--ligands lying above and below the Mo3-plane (bond distances: Mo-Mo = 2.722 Å, Mo-S(terminal) = 2.435, Mo-S(bridging) = 2.452, Mo3-S = 2.353(4) Å and S-S = 2.04 Å (mean values)).

Kristallstruktur und Schwingungsspektren von Li5CrCl8 / Crystal Structure and Vibrational Spectra of Li5CrCl8

1992 ◽  
Vol 47 (12) ◽  
pp. 1687-1692 ◽  
Author(s):  
Heinz Dieter Lutz ◽  
Peter Kuske ◽  
Arno Pfitzner ◽  
Hermann-Josef Steiner
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Vibrational Spectra ◽  
Title Compound ◽  
Structure Type ◽  
The Novel ◽  
X Ray ◽  
Symmetry Coordinates ◽  
Unknown Structure ◽  
Ir And Raman

The crystal structure of the novel pink Li5CrCl8 oC28 has been determined by both single crystal X-ray and neutron powder studies. The title compound crystallizes in a hitherto unknown structure type (space group C mmm, Z = 2). The final R values are R = 3.4% (715 independent reflections with I > 3aI) and Rwp = 11.5%, respectively (a = 1019.79(3), b = 723.94(2) and c = 726.16(3) pm). The structure consists of edge-connected Li(l)Cl6 and alternating edge-connected Li(2)Cl6 and CrCl6 octahedra, respectively. It is related to the NaCl super structure SnMn2S4 type. IR and Raman spectra as well as symmetry coordinates are given and discussed in terms of CrCl6 and LiCl6 breathing modes.

Crystal structure of 2,3-Dichloro-5,8-dihydroxynaphtho-1,4-quinone

1978 ◽  
Vol 31 (3) ◽  
pp. 555 ◽  
Author(s):  
GI Feutrill ◽  
CL Raston ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Benzene Ring ◽  
Title Compound ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
X Ray ◽  
The One ◽  
Least Squares Techniques

The crystal structure of the title compound has been determined at 295 K by single-crystal X-ray diffraction methods and refined by least- squares techniques to a residual of 0.049 for 1046 'observed' reflections. Crystals are monoclinic, P21/c, a 11.584(6), b 5.449(7), c 15.273(8) Ǻ, β 92.44(4)°, Z4. The pair of quinol hydrogen atoms are both located on the one benzene ring as the title indicates.

Reaktion von [Co(But2PH)2I2] mit [Ru3(CO)12]: Synthese und Röntgenkristallstrukturanalyse von [Ru3(CO)6(μ-H)(μ-I)2(μ-PBut2)(But2PH)]/ Reaction of [Co(But2PH)2I2] with [Ru3(CO)12]: Synthesis and X-Ray Crystal Structure of [Ru3(CO)6(μ-H)(μ-I)2(μ-PBut2)(But2PH)]

1998 ◽  
Vol 53 (8) ◽  
pp. 865-870 ◽  
Author(s):  
Marion Graf ◽  
Kurt Merzweiler ◽  
Clemens Bruhn ◽  
Hans-Christian Böttcher
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Cluster Expansion ◽  
Metal Clusters ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
The Novel ◽  
Space Group ◽  
X Ray ◽  
Iodine Transfer

Abstract [Co(But2PH)2I2] (1) reacts with [Ru3(CO)12] in refluxing toluene to give a mixture of products including the novel metal clusters [Ru3(CO)6(μ-H)(μ-I)2(μ-PBut2)(But2PH)] (2) and [Ru3(CO)7(μ-H)(μ-I)(μ-PBut2)2] (3) besides the known complex [Ru3(CO)8(μ-H)2(μ3- PBut)(But2PH)] (4). No cluster expansion products could be observed. Thus the cobalt compound acts merely as a phosphine and iodine transfer reagent. The molecular structures of the metal complexes 1 and 2 were determined by single-crystal X-ray structure analyses. 1 crystallizes in the tetragonal space group P4̄21c with a = 13.230(3), b = 13.230(3), c = 14.788(3)Å, V = 2588.4(9)A . 2 crystallizes in the monoclinic space group P21/c with a = 18.161(2), b = 10.292(2), c = 18.381(2)Å, β = 108.73(10)°, V= 3253.7(8)Å3.

Preparation and X-ray crystal structure of (4bα,6β,9β,9aα,10α,13α)-4b,5,6,7,8,9,9a,10,11,12,13,14-dodecahydro-4b-phenyl-6,9:10,13-dimethanodicyclohepta[a,c]naphthalene

1980 ◽  
Vol 58 (17) ◽  
pp. 1847-1850 ◽  
Author(s):  
Alan Richard Harris ◽  
Keith Mills ◽  
Michael Martin-Smith ◽  
Peter Murray-Rust ◽  
Judith Murray-Rust
Keyword(s):  
Crystal Structure ◽  
Least Squares ◽  
The Novel ◽  
Oxidative Dimerization ◽  
Full Matrix ◽  
X Ray ◽  
X Ray Crystallography

The novel hexacyclic title hydrocarbon, formed by an unusual oxidative dimerization of 3-phenylbicyclo[3,2,1]oct-2-ene, has been isolated and its structure elucidated by means of X-ray crystallography. The trivial name 4b-phenylmariontetraene is proposed for the hydrocarbon. Crystals are orthorhombic, Pbca; a = 21.87(2), b = 10.57(2), c = 17.41(2) Å from diffractometer measurements (Mo [Formula: see text] radiation). V = 4024.2 Å3, Z = 8, Dc = 1.21 Mg m−3, F(000) = 1584, μ = 0.34 cm−3. The structure was solved by direct phasing methods with MULTAN 78 and was refined by weighted full-matrix least-squares procedures to R = 0.046 for 2287 observed reflexions.

The crystal structure of Tetraisothiocyanatotetrakis(tetramethylurea)thorium(IV)

1980 ◽  
Vol 33 (5) ◽  
pp. 1161 ◽  
Author(s):  
CEF Rickard ◽  
DC Woollard
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Coordination Polyhedron ◽  
Title Complex ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
Nitrogen Donor

The structure of the title complex has been determined by single- crystal X-ray crystallography. The crystals are monoclinic, a 13.954(1), b 20.334(2), c 14.138(1) Ǻ, β 98.06(3)°, space group P21/c. The structure was refined to a residual of 0.044 by using 3875 structure amplitudes. The molecules are eight-coordinate, the coordination polyhedron being a slightly distorted dodecahedron with the oxygen and nitrogen donor atoms equally distributed between the A and B sites.

The Crystal Structure of Tetraisothiocyanato-tetrakis(trimethylphosphine oxide)uranium(IV)

1979 ◽  
Vol 32 (10) ◽  
pp. 2181 ◽  
Author(s):  
CEF Rickard ◽  
DC Woollard
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Coordination Polyhedron ◽  
Title Compound ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography

The structure of the title compound has been determined by single-crystal X-ray crystallography. The crystals are orthorhombic, a 12�122(1), b 12�545(2), c 22�128(3) �, space group Pccn. The structure was refined to a final residual of 0�040,1565 structure amplitudes being used. The molecules are eight-coordinate, the coordination polyhedron being an almost regular square antiprism, with the thiocyanate groups bonded through nitrogen.

Cyclophan-Metall-Komplexe: Synthese und Kristallstruktur von ([2](l,4)Naphthalino[2]paracyclophan)gallium(I)-tetrabromogallat(III)/Cyclophane Metal Complexes: Synthesis and Crystal Structure of ([2]( 1,4)Naphthalino[2]paracyclophane)gallium(I) Tetrabromogallate(III)

1987 ◽  
Vol 42 (2) ◽  
pp. 147-150 ◽  
Author(s):  
H. Schmidbaur ◽  
W. Bublak ◽  
G. Müller
Keyword(s):  
Crystal Structure ◽  
Metal Complexes ◽  
Single Crystal ◽  
Benzene Ring ◽  
Title Complex ◽  
Outer Side ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Secondary Reactions

AbstractThe title complex has been prepared from Ga[GaBr4] and [2](1,4)naphthalino[2]paracyclophane in toluene as a solvent, and the crystal structure of this adduct determined by single crystal X-ray diffraction. The structure is composed of dimeric units Ga2[GaBr4]2 , which are crosslinked into sheets through Ga(I)-arene coordination. Both the benzene ring and the substituted ring of the naphthalene system are η6-bonded from the outer side of the cyclophane cage, each to an univalent metal. The benzene and the naphthalene form an interplane angle of 49.3°. The distance to the benzene ring (2.67 Å) is much shorter than the distance to the naphthalene (2.85 Å), suggesting a stronger complexation with the unperturbed π-system of the former. [2.2](l,4)Naphthalinophane forms no adduct with Ga[GaBr4], and with [2](l,5)naphthalino[2]paracyclophane secondary reactions are observed.

4-Substituierte 1,3,5,7-Tetramethyl-1,3,5,7-tetraaza-4λ5-phosphaspiro-[3.3]heptan-2,6-dione; Röntgenstrukturanalyse von 1,3,4,6,7,9,10-Heptamethyl-5-oxa-1,3,7,9,10-pentaaza-4 λ5,6 λ5-diphosphadispiro[3.1.3.1]decan-2,8-dion / 4-Substituted 1,3,5,7-Tetramethyl- 1,3,5,7-tetraaza-4λ5-phosphaspiro[3.3]heptane-2,6-diones; Crystal Structure of 1,3,4,6,7,9,10-Heptamethyl-5-oxa-1,3,7,9,10-pentaaza-4λ5,6λ5-diphosphadispiro[3.1.3.1]decane-2,8-dione

1990 ◽  
Vol 45 (10) ◽  
pp. 1407-1415 ◽  
Author(s):  
Johannes Breker ◽  
Peter G. Jones ◽  
Reinhard Schmutzler
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Structure Determination ◽  
Spiro Compounds ◽  
The Novel ◽  
Central Ring ◽  
X Ray ◽  
Twofold Axis

The reaction of the tetrachlorophosphoranes RPCl4 (R=Me, Ph) with N,N′-dimethylurea (dmh) (1), or of the diazaphosphetidinone O=C(NMe)2PR (R=CCl3) (3) and chlorine with N,N′-bis(trimethylsilyl)-N,N′-dimethylurea (2) furnished the spiro compounds RP[(NMe)2C=O]2 (7-9). The dichlorophosphoranes O=C(NMe)2PRCl2 (4-6) are intermediates in these reactions; 4 and 6 were isolated but 5 could not be obtained pure. In the reaction of 4 with 2 a mixture of products was formed, from which the novel tricyclic diphosphorane 1,3,4,6,7,9,10-heptamethyl-5-oxa-1,3,7,9,10-pentaaza-4 λ5,6 λ5-diphosphadispiro-[3.1.3.1]decane-2,8-dione (10) was isolated in low yield. Its identity and structure were established by 1H, 13C and 31P NMR spectroscopy and by a single crystal X-ray structure determination, which confirmed the presence of the novel oxazadiphosphetidine ring. 10 crystallizes in C2/c with a = 1321.1(3), b = 687.6(1), c = 1674.5(3) pm, β= 103.30(2)° and Z = 4; R = 0.039 for 1437 unique observed reflections. A crystallographic twofold axis passes through the Me-N···O moiety of the central ring

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