Wyniki wyszukiwania - BazTech

1

Bond-valence Approach to the Semicoordination in Seven-Coorinated Copper(II) Complexes with 4-Aminopyridine: Crystal and MOlecular Structure of Bis(4-aminopyridine)di(acetato)(aqua)copper(II)

Grobelny R., Valach F., Głowiak T., Mroziński J.

Polish Journal of Chemistry

|

2005

|

Vol. 79 / nr 1

31-36

EN

The structure of [Cu(CH3COO)2(4-aminopyridine)2(H2O)] was X-ray studied. Heptacoordinated copper atoms of [Cu(CH3COO)2(4-aminopyridine)2(H2O)] complex are consistent with bond valence sum model based on orbital metal-ligand interaction. Equatorial plane of deformed tetragonal bipyramid as copper coordination polyhedron is formed by atoms O of carboxylato ligands and water molecule. Two N atoms of 4-aminopyridine molecules occupy the axial sites. Each copper atom is semicoordinated by two atoms O from two carboxylato chelates. The lengths of two semicoordinated Cu...O bonds are 3.041(2)A (twice). Seven-coordinated copper atom of the studied compound and Cu(oxalato)(H2O) (4-aminopyridine)2 is consistent with the bond valence sum model.

2

Crystal and Molecular Structures of Two Antiarrythmic alfa-[(Diarylmethoxy) methyl]-1-piperidineethanols

Kubicki M.

Polish Journal of Chemistry

|

2001

|

Vol. 75, nr 9

1361-1366

EN

The crystal structures of two antiarrythmic piperidineethanols, _-{[(2-methylphenyl) phenylmethoxy]methyl}-2,6-dimethyl-1-piperidineethanol (1) and _-[(bis(2,6-dimethylphenyl) methoxy)methyl]-2,6-dimethyl-1-piperidineethanol (2) have been determined by X-ray structure analysis of single crystals. The piperidine rings are close to ideal chair conformations, the methyl substituents are in equatorial positions. Overall shapes of the molecules differ significantly: in compound 1 the oxygen atoms are in anti position, while in 2 their mutual disposition is gauche. Dihedral angles between the phenyl rings and C-O-C plane are close to 90_ for the mono- or di-substituted phenyl rings, while for the unsubstituted phenyl ring in 1 this value is smaller, equals 27.8(3)_. The bond angles in phenyl rings are influenced by the presence of methyl substituents. In both crystal structures the molecules make centrosymmetric dimers connected by strong O-H___N hydrogen bonds (piperidine nitrogen atoms act as acceptors).

3

The structure of narlumicine

Tykarska E., Chrzanowska M., Kosturkiewicz Z.

Polish Journal of Chemistry

|

1998

|

Vol. 72, nr 2

433-438

EN

The crystal of racemic narlumicine, C21H21NO7, 6-[[6-[2-(dimethylamino) ethyl]-1,3-benzodioxol-5-yl]hydroxymethyl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one, have been investigated by X-ray diffraction methods. The crystal are monoclinic, space group P2-1c,a=10,792(2), b=18.064(4), c=10.053(3)A, beta=104.77(3)degree, Z=4. The structure was solved by direct methods and refined to R=0.036 for 2149 observed reflections. The three-cycle and two-cycle moieties are nearly planar and the dihedral angle between them is 63.5 degree. The sum of bond angles around the nitrogen atom is 330.2 degree. The fourth apex of the pyramid is pccupated by O-H...N hydrogen bond. The intermolecular hydrogen bond O-H...N (2.716(5)A) links the molecules into chains parallel to the y axis.

4

Crystal structures of 1,2,5-trimethoxy-3-(1-propenyl)benzene and 1,3,5-trimethoxy-2-(1-propenyl)benzene

Wolska I., Popławski J., Łozowicka B.

Polish Journal of Chemistry

|

1998

|

Vol. 72, nr 10

2331-2341

EN

The crystal structure of 1,2,5-trimethoxy-3-(1-propenyl)benzene (D) and 1,3,5-trimethoxy-2-(1-propenyl)benzene (F) have been determined by X-ray diffraction methods. The compounds crystalize in the monoclinic system, space group P2-1/c for (D) with a=8.173(2), b=11.725(2), c=12.275(2) A, beta=102.48(3) degree, V=1148.5(4) A(3), and P2-1/n for (F) with a=7.433(1), b=18.225(4), c=8.854(2) A, beta=108.51(3) degree, V=1137.4(4) A(3). Both, (D) and (F), carry E-propenyl side chains. The double bond lenghts observed in the propenyl groups of the compounds examined (1.307(3) and 1.281(4) A) deviate from the expected value (ca. 1.34 A). The angular deformation parameters were used in the analysis of the deformations of angles in the benzene ring. The existence of intra- and intermolecular C-H....0 hydrogen bonds was observed.

5

Crystal and molecular structure of 7-chloropropyl-8-aminotheophylline semibenzene solvate

Karczmarzyk Z., Pawłowski M.

Polish Journal of Chemistry

|

1998

|

Vol. 72, nr 4

793-798

EN

The title compound, 8-amino-7-chloropropyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione semibenzene solvate, C10H14N5O2Clx1/2C6H6, crystallizes in the triclinic system, space group P1, with cell contants a=8.291(7), b=9.224(6), c=11.098(3)A, alpha=72.31(4), beta=78.39(4) and gamma-63.95(7) degree. Asymmetric unit of the unit cell contains a molecule of 7-chloropropyl-8-aminotheophylline and a half of the benzene molecule; the centre of the benzene ring lies in the center of symmetry. The fused rings of the purine system are planar and are inclined with respect to each other at an angle 0.8(1) degree. The chloroalkyl group in the 7 position of the theophylline has a gauche- gauche-trans conformation. The crystal structure is stabilized by a network of intermolecular hydrogen bonds. Moreover, theophylline skeletons and benzene rings show significant stacking.

6

Crystal and molecular structure of 2-(N,N-diethylamino)-methyl-4-bromo-6-formylphenol

Woźniak K., Anulewicz R., Grech E., Szady A.

Polish Journal of Chemistry

|

1998

|

Vol. 72, nr 2

460-469

EN

Structural and spectroscopic properties of solid 2-(N,N-diethylamino)-methyl-4-bromo-6-formylphenol have been investigated. There are two molecules of the title compound in the independent part of the unit cell with only minor structural differences. This is an example of a Mannich base containing a neutral [O-H...N] intramolecular hydrogen bonding. Single crystal X-ray diffraction shows that the title molecule is dominated by neutral Kekule structures. Being involved in a strong intramolecular [O-H...N] hydrogen bonding, 2-(N,N-diethylamino)-methyl-4-bromo-6-formylphenol forms its crystal lattice by means of different types of weak intermolecular [C-H...O], and C-H...Br hydrogen bonds.

7

Coordination compounds of Pd(II) and Pt(II) with 3,4,5,6-tetrahydro-2-pyrimidinethiol

Wiśniewski M. Z., Głowiak T., Surga W.J.

Polish Journal of Chemistry

|

1998

|

Vol. 72, nr 10

2226-2231

EN

Coordination compounds of Pd(II) and Pt(II) with 3,4,5,6-tetrahydro-2-pyrimidinethiol (THPT) of the general formula M(THPT)4Cl2 H2O, where stands for Pd and Pt, have been obtained and characterized by elemental analysis, X-ray diffraction patterns, derivatography (TG, DTG, DTA), magnetic measurements, and the IR and far-IR spectroscopy. Crystal and molecular structure of the Pd(THPT)4Cl2 H2O have been determined. This compound crystalizes in the monoclinic system with a=8.555(2), b=14.999(3), c=23.324(5) A, beta=91.05(3) degree, V=2832.7(11) A(3) and Z=4; space group P2-1/c. The two compounds have been found to be isostuctural.