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1
Angular Group Induced Bond Alternation (AGIBA). Part VIII. Crystal and Molecular Structure of 2,3,6,7-Tetrahydro-1H,5H-pyrido{3,2,1-ij]quinoline-9-carbaldehyde(E,E)-azine. A Competition Between the AGIBA and the Through Resonance Effects
Krygowski T., Findebka E., Anulewicz-Ostrowska R., Nowacki J.
Polish Journal of Chemistry
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2002
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Vol. 76 / nr 9
1249-1254
EN
Low temperature (100 K) X-ray diffraction study of 2,3,6,7-tetrahydro-1H,5H-pyrido[ 3,2,1-ij]quinoline-9-carbaldehyde(E,E)-azine provided the molecular geometry allowing to study a competition between the AGIBA and through resonance effects. The simplified derivatives, for which geometry was obtained by optimization at B3LYP/6- 311G** level of theory, supported the results for the title compound and the conclusion that the AGIBA effect and the through resonance may exist simultaneously in systems with appropriate substituents.
2
Water Molecules as a Gluing Factor in Organic Crystals. Part 2. The Crystal and Molecular Structure of 6-Acetoxy-2,5,7,8-tetramethylchroman-2-carboxylic Acid Monohydrate
Witkowski S., Anulewicz-Ostrowska R., Krygowski T. M.
Polish Journal of Chemistry
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2001
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Vol. 75, nr 6
883-888
3
Guanidinium Cation – An Acyclic Analogue of Benzene ?
Krygowski T. M., Cyrański M. K., Anulewicz-Ostrowska R.
Polish Journal of Chemistry
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2001
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Vol. 75, nr 12
1939-1942
4
Structure and Hydrogen Bonding of Solid N1-Alkyl-N2-(2-hydroxy, 4- or 5-methylphenyl)thioureas
Wawer I., Anulewicz-Ostrowska R., Maciejewska D., Koleva V.
Polish Journal of Chemistry
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2000
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Vol. 74, nr 6
823-835
EN
Crystalline N1-alkyl-N2-arylthioureas with ortho hydroxyl and para or meta methyl substituents to the phenyl ring were studied by single crystal X-ray diffraction, IR and solid state 13C cP MAS NMR. Two different modes of association were found: i) intermolecular N1H...S bonds and N2H not involved in hydrogen bonding in N1-methyl-N2-(2-hydroxy, 5-metylphenyl)thuiourea 1, ii) cyclic dimers with two N2H...S hydrogen bonds (S...N2 distance of 3.332 A) and N1H engaged in intermolecular N1H...O bond in N1-methyl-N2-(2-hydroxy,4 methylphenyl)thiourea 2. Changes of carbon chemical shifts between solution and solid state result mainly from the reorientation of the aromatic ring with respect to the thiourea fragent.
5
Crystal and molecular structure of 3-(2,4,6-trimethyl-phenyl)-8-phenyl-oxo-1,7-dioxa-2-azaspiro[4,4]non-2-ene
Anulewicz-Ostrowska R., Piętka E., Krygowski T., Micuch P., Fisera L.
Polish Journal of Chemistry
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1999
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vol. 73 nr 4
727-733
EN
Crystal and molecular structure of 3-(2,4,6-Trimethylphenyl)-8-phenyl-oxo-1,7-dioxa-2-azaspiro[4,4]non-2-ene has been determined by X-ray diffraction technique. Crystal data for C21H21NO3: monoclinic, C2/c, a=20.969(4) A, b=10.319(2) A, c=16.601(3) A, b=97.5(3)0, Z=8, R=0.0658 for 3477 reflections. Contrary to the solution, in the crystalline state only one conformer exists.
6
Crystal and Molecular Structure of 1,3,5-Trimethoxy-2,4,6-trinitrobenzene : Mesomeric Effects for Out-of-plane Twisted Substituents
Anulewicz-Ostrowska R., Krygowski T., Cyrański M., Matuszewska M.
Polish Journal of Chemistry
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1999
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Vol. 73, nr 11
1895-1901
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