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X-ray investigations of four selected multifunctional phenylsulfones

Gałdecka E., Gałdecki Z.

Polish Journal of Chemistry

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1999

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vol. 73 nr 5

821-843

EN

The crystal and molecular structures of following selected multifunctional phenylsulfones were determined by X-ray diffraction methods using an Enraf-Nonius CAD4S diffractometer: a-(4-biphenylsulfonyl)acetophenone, (1); a-methyl-a-[4-(acetylamino)phenylsulfonyl]acetophenone, (II); 1,1-dichloro-2-phenyl-2-(4-allylsulfonylphenyl)ethane, (III); 1,1-dichloro-2-phenyl-2-(4-chlorosulfonylphenyl)ethane, (IV). The compound (I), (C20H16O3S), crystallizes in the monoclinic P21/c space group with unit cell dimensions: a =9.0527(6) A, b = 5.333(1) A, c= 34.286(2) A, b = 94.796(5)0. Analyzis of benzene-ring geometry leads to the conclusion that the bond angles and distances within the benzene rings of the four investigated structures seem normal, and only small deviations occur. In (I) all three rings are almost planar and the two rings the biphenyl are almost coplanar. The compound (II), (C17H17NO4S), crystallizes in the monoclinic P21/c space group with unit cell dimensions: a = 10.943(4) A, b = 8.566(2) A, c= 17.286(4) A, b = 90.57(3)0. Both rings are almost planar. The compound (III), (C17H14O2SCl2), crystallizes in the monoclinic P21/c space group with unit cell dimensions: a = 12.577(20) A, b = 18.961(2) A, c= 7.407(2) A, b = 103.83(2)0. Both rings are almost planar - the dihedral angles in ring A vary from -1.7o to 1.2o, and in ring B from -1,7o to 1,6o. The planes of the two rings are nearly perpendicular to each other.

2

Structure of three selected dirhodium(II) and cobalt(II) phosphane complexes

Gałdecki Z., Gałdecka E., Kowalski A., Pruchnik F., Wajda-Hermanowicz K., Starosta R.

Polish Journal of Chemistry

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1999

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vol. 73 nr 5

859-872

EN

The crystal structure of the following complexes has been determined using a KM4CCD Kuma Diffraction Diffractometer with CDD camera, and the original KM4CCD data collection and KM4RED data reduction programs: tetrachlorobis{m-phenylbis(2-pyridyl)phosphane(P,N,N')dirhodium(II), [Rh2Cl4{PPh(C5H4N)2}2], (1); tris(m-acetato-kO: -kO')(acetic acid-1-kO)-m-2-{[(2-methoxyphenyl-2kO)(2-methoxyphenyl)phosphano-2-kP]phenolato-1kO}-dirhodium(II), [Rh2(OOCCH3)3{P(C6H4OCH3)2C6H4O}HOOCCH3], (II); dichlorobis{phenylbis(2-pyridyl)phosphane oxide}cobalt(II), [CoCl2{OP(C5H4N)2}2(C6H5)}2], (III).

3

Redetermination of Crystal Structure of Dichloroethanolato Oxobis(triphenylphosphine)-rhenium(V) with Larger Unit Cell Using the KM4CCD Diffractometer

Gałdecki Z., Gałdecka E., Kowalski A.

Polish Journal of Chemistry

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1999

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Vol. 73, nr 8

1391-1403

EN

The crystal structure of the title compound with larger unit cell has been determined using a KM4CCD Kuma Diffraction Diffractometer with CCD camera, and the original KM4CCD data collection and KM4RED data reduction programs. The structure of the same compound has already been published.

4

Crystal and molecular structure of 3B-acetoxy-21-(2-hydroxy-2methylopropoxy)-cholest-5-en-25-ol, the first "double side chain" choresterol analogue investigated by X-ray diffraction

Gałdecka E., Gałdecki Z., Górkiewicz Z., Kurek-Tyrlik A., Makaev F., Wicha J., Calverley M.

Polish Journal of Chemistry

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1999

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vol. 73 nr 3

541-555

EN

The title steroid crystallizes in the monoclinic P21 space group with unit cell dimensions: a=11.745(2) A, b=10.564(2) A, c=12.979(3) A, b = 95.73(3)0. Its crystal and molecular structure was determined by X-ray diffraction methods. The A ring has a symmetrical chair conformation. The B ring has a half-chair conformation, with asymmetry parameter D5,62=0.60. The C ring has an intermediate sofa-half-chair conformation with asymmetry parameters: DC9s=2.30, DC11s=5.80, DC9,112=4.80, and DC8,92=5.60. The D ring adopts an envelope conformation with asymmetry parameter DC13s=10.70. The cholesterol side chain adopts a fully extended conformation with torsion angles -170.6(6)0, 167.9(6)0 , -171.9(6)0 , and 175.6(7)0 , i.e. it belongs to the most populated conformer A, and with the terminal C26 and C27 methyl groups in gauche, trans conformations.