Crystal and molecular structures of P,P-diphenyl-N-methyl-seleno-phosphinylthioformamide, P,P-dicyclohexyl-N-methyl-selenophosphinyl-thioformamide and P,P-dicyclohexyl-N-phenyl-selenophosphinyl-thioformamide

1995 ◽  
Vol 210 (11) ◽  
Author(s):  
G. Siasios ◽  
E. R. T. Tiekink
Keyword(s):  
Crystal Structures ◽  
General Formula ◽  
Molecular Structures ◽  
Crystal And Molecular Structures

AbstractThe crystal structures of three compounds of the general formula R

Structural and spectroscopic studies of transition metal nitrite complexes. VIII. Crystal structures and spectra of three pentanuclear species with stoichiometry [Ni5(N-substituted ethane-1,2-diamine)4(OH)2(NO2)8]

1981 ◽  
Vol 34 (10) ◽  
pp. 2139 ◽  
Author(s):  
AJ Finney ◽  
MA Hitchman ◽  
CL Raston ◽  
GL Rowbottom ◽  
AH White
Keyword(s):  
Transition Metal ◽  
Crystal Structures ◽  
General Formula ◽  
Infrared Spectra ◽  
Spectroscopic Studies ◽  
Molecular Structures ◽  
Structural Variations ◽  
Crystal And Molecular Structures

The preparation of a series of novel compounds of general formula [Ni5L4(NO2)8(OH)2] formed by ethane-1,2-diamine or one of five N-substituted ethane-1,2-diamines (L) is described. The crystal and molecular structures of the ethane-1,2-diamine, N,N'-diethylethane-1,2-diamine and N,N-dimethylethane-1,2-diamine complexes are reported. Each compound contains a planar, pentameric arrangement of nickel(II) ions, linked by bridging hydroxide and nitrite ligands. The details of the nitrite bridges differ among the complexes, causing differences in their electronic and infrared spectra. The structural variations are probably caused by the differing steric requirements of the amine substituents.

Structural diversity in mercury(II) bis (O-alkyldithiocarbonate) compounds

1999 ◽  
Vol 214 (8) ◽  
Author(s):  
M. J. Cox ◽  
E. R. T. Tiekink
Keyword(s):  
General Formula ◽  
Structural Diversity ◽  
Molecular Structures ◽  
Crystal And Molecular Structures

AbstractThe crystal and molecular structures of four compounds of the general formula Hg(S

Lewis-Base Adducts of Group 1B Metal(I) Compounds. XXI The Crystal and Molecular Structures of the Unsolvated Forms of Dibromotris(triphenylphosphine)dicopper(I) and 'step' Tetrabromotetrakis(triphenyl-phosphine)tetracopper(I)

1985 ◽  
Vol 38 (8) ◽  
pp. 1243 ◽  
Author(s):  
JC Dyason ◽  
LM Engelhardt ◽  
C Pakawatchai ◽  
PC Healy ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Molecular Structures ◽  
Lewis Base ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Triphenyl Phosphine ◽  
X Ray ◽  
Crystal And Molecular Structures

The crystal structures of the title compounds have been determined by single-crystal X-ray diffraction methods at 295 K. Crystal data for (PPh3)2CuBr2Cu(PPh3) (1) show that the crystals are iso-morphous with the previously studied chloro analogue, being monoclinic, P21/c, a 19.390(8), b 9.912(5), c 26.979(9) Ǻ, β 112,33(3)°; R 0.043 for No 3444. Cu( trigonal )- P;Br respectively are 2.191(3); 2.409(2), 2.364(2) Ǻ. Cu(tetrahedral)- P;Br respectively are 2.241(3), 2.249(3); 2.550(2), 2.571(2) Ǻ. Crystals of 'step' [PPh3CuBr]4 (2) are isomorphous with the solvated bromo and unsolvated iodo analogues, being monoclinic, C2/c, a 25.687(10), b 16.084(7), c 17.815(9) Ǻ, β 110.92(3)°; R 0.072 for No 3055. Cu( trigonal )- P;Br respectively are 2.206(5); 2.371(3), 2.427(2) Ǻ. Cu(tetrahedral)- P;Br are 2.207(4); 2.446(2), 2.676(3), 2.515(3) Ǻ.

Structural and spectroscopic studies of transition metal nitrite complexes. V. Crystal structures and spectra of trans-Tetrakis(pyridine)dinitritonickel(II)-pyridine (1/2), trans-Tetrakis(4-methylpyridine)dinitritonickel(II) and trans-Tetrakis(pyrazole)-dinitritonickel(II)

1981 ◽  
Vol 34 (10) ◽  
pp. 2095 ◽  
Author(s):  
AJ Finney ◽  
MA Hitchman ◽  
CL Raston ◽  
GL Rowbottom ◽  
BW Skelton ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Transition Metal ◽  
Crystal Structures ◽  
Electronic Spectra ◽  
Spectroscopic Studies ◽  
Molecular Structures ◽  
Aromatic Rings ◽  
Paddle Wheel ◽  
Crystal And Molecular Structures ◽  
Infrared Frequencies

The crystal and molecular structures of the compounds [Ni(py)4(ONO)2],2py, [Ni(γmpy),(ONO)2] and [Ni(prz)4(ONO)2] are reported.�All three are trans nitrito complexes, the pyridine (py) compound containing two pyridine molecules of solvation. The aromatic rings in the first two complexes adopt 'paddle wheel' conformations with pitch angles varying between 40 and 70�. The nitrite ions are positioned so as to minimize repulsive interactions with the amines, and it seems likely that these groups bond through oxygen rather than nitrogen because this allows a lesser degree of interligand steric interference. The amine rings in [Ni(prz)4(ONO)2] are orthogonal to the plane containing the nickel and coordinated pyrazole nitrogen atoms; the nitrito groups are disordered between two inequivalent positions, each of which involves hydrogen bonding with the pyrazole NH groups. The nitrite infrared frequencies are similar to those observed for other nickel(II) nitrito complexes except that the antisymmetric NO stretching mode of one of the groups in the pyrazole complex is much lower in energy than expected, being in the range normally associated with a nitrogen-bonded or chelated nitrite group. It is suggested that this deviation may be caused by the hydrogen bonding in the complex. The electronic spectra of the compounds yield 10Dq values of 9100 and 8500 cm-1 for the nitrite ligands in [Ni(py)4(ONO)2] and Ni(prz)4(ONO)2], respectively, placing the nitrito group towards the weaker end of the spectro-chemical series.

Crystal and molecular structures of boldenone and four boldenone steroid esters

2019 ◽  
Vol 234 (10) ◽  
pp. 671-683 ◽  
Author(s):  
Alexandru Turza ◽  
Maria O. Miclăuș ◽  
Aurel Pop ◽  
Gheorghe Borodi
Keyword(s):  
Crystal Structures ◽  
High Throughput ◽  
High Throughput Screening ◽  
Molecular Structures ◽  
Anabolic Androgenic Steroid ◽  
Crystal And Molecular Structures ◽  
Hirshfeld Surfaces ◽  
Intermolecular Contacts ◽  
Lattice Energies ◽  
Steroid Skeleton

Abstract Androsta-1,4-dien-17β-ol-3-one, also known as boldenone, is an anabolic-androgenic steroid derived from testosterone. The crystal structures of boldenone base, boldenone acetate, boldenone propionate, boldenone cypionate and a boldenone acetate polymorph obtained by high throughput screening were investigated. Hirshfeld surfaces and fingerprint plots breakdown revealed that the molecular packing in the crystals are driven by dominant H⋯H intermolecular contacts, followed by O⋯H/H⋯O contacts and to a lesser degree C⋯H/H⋯C contacts. The steroid skeleton rings, for all the reported compounds, adopt the following conformation: planar in A, chair in B and C, whereas C(13) envelope conformations are found for the five-membered D rings. The total lattice energies were calculated as a sum of four terms (Coulombic, polarization, dispersion, repulsion).

Organolanthanoids. XI. The Crystal and Molecular Structures of Two Tris(η5-cyclopentadienyl)(pyridine) lanthanoid(III) Compounds

1987 ◽  
Vol 40 (5) ◽  
pp. 907 ◽  
Author(s):  
GB Deacon ◽  
BM Gatehouse ◽  
SN Platts ◽  
DL Wilkinson
Keyword(s):  
Crystal Structures ◽  
Coordination Number ◽  
Unit Cell ◽  
Molecular Structures ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Crystal And Molecular Structures

The crystal structures of tris (η5-cyclopentadienyl) (pyridine) samarium(III), monoclinic, space group P21/c, a 10.906(4), b 8.636(2), c 17.825(3) �, β 96.44(2)�, Z 4, R 0.027 and Rw 0.032 for 3619 'observed' reflections, and tris (η5-cyclopentadienyl)(pyridine)neodymium(III), monoclinic, space group P21 / c, a 14-206(4), b 8.619(2), c 15.190(7) �, β 107.38(2)�, Z 4, R 0.035 and R, 0.039 for 2677 'observed' reflections have been determined. Both compounds have pseudotetrahedral geometry with a coordination number of 10 for the lanthanoid metal but there is a difference in the coordination of pyridine and in unit cell packing between the two structures.

Syntheses, Crystal Structures and Electrochemical Properties of Acetylacetonato-Ruthenium Complexes Containing Substituted Pyridine Ligands

2013 ◽  
Vol 68 (9) ◽  
pp. 993-999 ◽  
Author(s):  
Xiuli Wu ◽  
Rufei Ye ◽  
Ai-Quan Jia ◽  
Qun Chen ◽  
Qian-Feng Zhang
Keyword(s):  
Electrochemical Properties ◽  
Crystal Structures ◽  
Zinc Dust ◽  
Ruthenium Complexes ◽  
Reducing Agent ◽  
Molecular Structures ◽  
X Ray ◽  
X Ray Crystallography ◽  
Crystal And Molecular Structures ◽  
Pyridine Ligands

Treatment of Ru(acac)3 with 2-cyano-pyridine and 3,5-dimethyl-pyridine in the presence of zinc dust as reducing agent in refluxing THF afforded the ruthenium(II) complexes cis-[RuII(acac)2(2- CN-py)2] (1) and cis-[RuII(acac)2(3,5-Me2-py)2] (2), respectively. Interaction of Ru(acac)3 with 3- Me-pyridine and 3,5-Me2-pyridine in the presence of Br2 in refluxing THF gave the ruthenium(III) complexes [RuIII(acac)Br2(3-Me-py)2] (3) and [RuIII(acac)Br2(3,5-Me2-py)2] (4), respectively. The four complexes have been spectroscopically and electrochemically characterized, and their crystal and molecular structures have been established by X-ray crystallography

Investigation of a New Xanthate Ligand. The Crystal and Molecular Structures of Nickel and Cadmium (Methoxyethyl)xanthates

1988 ◽  
Vol 41 (7) ◽  
pp. 1117 ◽  
Author(s):  
BF Abrahams ◽  
BF Hoskins ◽  
ERT Tiekink ◽  
G Winter
Keyword(s):  
Crystal Structures ◽  
Metal Atom ◽  
Molecular Structures ◽  
Central Metal Atom ◽  
Central Metal ◽  
Crystal And Molecular Structures ◽  
Cadmium Compound

The crystal structures of Ni(S2COCH2CH2OCH3)2 and Cd (S2COCH2CH2OCH3)2 have been determined. Crystals Ni(S2COCH2CH2OCH3)2 are orthorhombic, Pbca , with a 7.852(1), b 7.126(2), c 24.963(4)Ǻ, Z 4. Crystals of Cd (S2COCH2CH2OCH3)2 are monoclinic, P21/c, with a 12.712(2), b 4.215(1), c 13.400(2)Ǻ, β 104.60(1)°, Z 2. In both structures the central metal atom is coordinated by the sulfur atoms in a planar arrangement, an unexpected observation for the cadmium compound.

Aromatic aldonitrones of 2-(hydroxyamino)benzyl alcohol and their cyclic isomers. Crystal and molecular structures of a 1-hydroxy-1,2-dihydro-4H-3,1-benzoxazine, a boron chelate, and its parent nitrone ligand

1998 ◽  
Vol 76 (4) ◽  
pp. 389-399 ◽  
Author(s):  
Wolfgang Kliegel ◽  
Jörg Metge ◽  
Steven J Rettig ◽  
James Trotter
Keyword(s):  
Least Squares ◽  
Benzyl Alcohol ◽  
Crystal Structures ◽  
Direct Methods ◽  
Molecular Structures ◽  
Full Matrix ◽  
Space Group ◽  
Crystal And Molecular Structures ◽  
Independent Molecules ◽  
Boron Chelate

The synthesis of a series of C-aryl-N-[2-(hydroxymethyl)phenyl]nitrones, 5 (that can also exist under certain conditions as isomeric 1-hydroxy-2-aryl-1,2-dihydro-4H-3,1-benzoxazines, 8), via 2-(hydroxyamino)benzyl alcohol, 4, and their subsequent reactions with oxybis(diphenylborane), (Ph2B)2O, leading to the 5-(arylmethylene)-7,7-diphenyl-6,8-dioxa- 5-azonia-7-borata-5H-6,7,8,9-tetrahydrobenzocyclo- heptenes 6 are described. Crystals of 1-hydroxy-2- (4-methoxyphenyl)- 1,2-dihydro-4H-3,1-benzoxazine, 8b, are monoclinic, a = 9.379(2), b = 10.699(2), c = 12.9392(7) Å, β = 99.916(2)°, Z = 4 (two independent molecules), space group Pa; those of C-[4-(dimethylamino)phenyl]-N-[(2-hydroxymethyl)phenyl]nitrone, 5c, are monoclinic, a = 7.687(1), b = 7.891(1), c = 11.5053(9) Å, β = 92.781(9)°, Z = 2, space group P21; and those of 5-[4-(dimethylamino)phenylmethylene]-7,7-diphenyl-6,8-dioxa-5-azonia-7-borata-5H-6,7,8,9- tetrahydro-benzocycloheptene, 6a, are monoclinic, a = 10.771(1), b = 13.1057(9), c = 16.8724(7) Å, β = 90.005(5)°, Z = 4, space group P21/n. The structures were solved by direct methods and refined by full-matrix least-squares procedures to R(F2) = 0.120 (Rw(F2) = 0.135) for all 3149 reflections (R(F) = 0.071, Rw(F) = 0.063 for 1500 reflections with I >3 σ (I)) for 8b and R(F) = 0.035 and 0.036 (Rw(F) = 0.031 and 0.038) for 1071 and 3594 reflections with I >3 σ (I), respectively, for 5c and 6a. Compound 8b is the first structurally characterized 1-hydroxy-1,2-dihydro-4H-3,1-benzoxazine derivative and 6a features a relatively rare seven-membered boron-containing heterocycle.Key words: C-aryl-N-[2-(hydroxymethyl)phenyl]nitrones, 1-hydroxy-2-aryl-1,2-dihydro-4H-3,1-benzoxazines, organoboron compounds, crystal structures

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