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| Description
| - The molecular and solid-state structures of methyl [2-(acridin-9-ylimino)-3-(tert-butylamino)-4-oxothiazolidin-5-ylidene]acetate (4) were determined by X-ray diffraction, 1H NMR, 13C NMR, CI mass spectroscopy and B3LYP calculations using the basis sets 6-31G(d,p), 6-311+G(d, p) and 6-311++G(2d, 2p). In particular, calculations of long-range heteronuclear coupling constants were found to be extraordinarily indicative for the E/Z configuration of a distal segment. Compound 4 (C23H22N4O3S, Mr = 434.52) crystallized in the P1 space group wherein: a = 11.973(4), b = 12.398(3), c = 15.289(4) Å and a = 85.80(2)°, β = 73.70(3)°, y = 87.93(2)°, V = 2172.2(11) Å3, Z=4 and calculated density = 1.329 g cm-3. The formation of dimers, chains and the crystal packing between the molecules by means of intermolecular hydrogen bonds and π-π interactions between neighboring acridine moieties are discussed. NMR spectral analysis and quantum chemical calculations were found to be in good agreement
- The molecular and solid-state structures of methyl [2-(acridin-9-ylimino)-3-(tert-butylamino)-4-oxothiazolidin-5-ylidene]acetate (4) were determined by X-ray diffraction, 1H NMR, 13C NMR, CI mass spectroscopy and B3LYP calculations using the basis sets 6-31G(d,p), 6-311+G(d, p) and 6-311++G(2d, 2p). In particular, calculations of long-range heteronuclear coupling constants were found to be extraordinarily indicative for the E/Z configuration of a distal segment. Compound 4 (C23H22N4O3S, Mr = 434.52) crystallized in the P1 space group wherein: a = 11.973(4), b = 12.398(3), c = 15.289(4) Å and a = 85.80(2)°, β = 73.70(3)°, y = 87.93(2)°, V = 2172.2(11) Å3, Z=4 and calculated density = 1.329 g cm-3. The formation of dimers, chains and the crystal packing between the molecules by means of intermolecular hydrogen bonds and π-π interactions between neighboring acridine moieties are discussed. NMR spectral analysis and quantum chemical calculations were found to be in good agreement (en)
- The molecular and solid-state structures of methyl [2-(acridin-9-ylimino)-3-(tert-butylamino)-4-oxothiazolidin-5-ylidene]acetate (4) were determined by X-ray diffraction, 1H NMR, 13C NMR, CI mass spectroscopy and B3LYP calculations using the basis sets 6-31G(d,p), 6-311+G(d, p) and 6-311++G(2d, 2p). In particular, calculations of long-range heteronuclear coupling constants were found to be extraordinarily indicative for the E/Z configuration of a distal segment. Compound 4 (C23H22N4O3S, Mr = 434.52) crystallized in the P1 space group wherein: a = 11.973(4), b = 12.398(3), c = 15.289(4) Å and a = 85.80(2)°, β = 73.70(3)°, y = 87.93(2)°, V = 2172.2(11) Å3, Z=4 and calculated density = 1.329 g cm-3. The formation of dimers, chains and the crystal packing between the molecules by means of intermolecular hydrogen bonds and π-π interactions between neighboring acridine moieties are discussed. NMR spectral analysis and quantum chemical calculations were found to be in good agreement (cs)
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| Title
| - Molecular and solid-state structure of methyl [2-(acridin-9-ylimino)-3-(tert-butylamino)-4-oxothiazolidin-5-ylidene]acetate
- Molecular and solid-state structure of methyl [2-(acridin-9-ylimino)-3-(tert-butylamino)-4-oxothiazolidin-5-ylidene]acetate (en)
- Molecular and solid-state structure of methyl [2-(acridin-9-ylimino)-3-(tert-butylamino)-4-oxothiazolidin-5-ylidene]acetate (cs)
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| skos:prefLabel
| - Molecular and solid-state structure of methyl [2-(acridin-9-ylimino)-3-(tert-butylamino)-4-oxothiazolidin-5-ylidene]acetate
- Molecular and solid-state structure of methyl [2-(acridin-9-ylimino)-3-(tert-butylamino)-4-oxothiazolidin-5-ylidene]acetate (en)
- Molecular and solid-state structure of methyl [2-(acridin-9-ylimino)-3-(tert-butylamino)-4-oxothiazolidin-5-ylidene]acetate (cs)
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| skos:notation
| - RIV/60461373:22310/08:00020415!RIV09-MSM-22310___
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| http://linked.open...avai/riv/aktivita
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| http://linked.open...avai/riv/aktivity
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| http://linked.open...iv/cisloPeriodika
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| http://linked.open...vai/riv/dodaniDat
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| http://linked.open...aciTvurceVysledku
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| http://linked.open.../riv/druhVysledku
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| http://linked.open...iv/duvernostUdaju
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| http://linked.open...titaPredkladatele
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| http://linked.open...dnocenehoVysledku
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| http://linked.open...ai/riv/idVysledku
| - RIV/60461373:22310/08:00020415
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - 9-Acridinyl thiazolidine; X-ray diffraction; NMR and mass spectra; Hydrogen bonding interactions; Quantum chemical calculations (en)
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| http://linked.open.../riv/klicoveSlovo
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| http://linked.open...odStatuVydavatele
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| http://linked.open...ontrolniKodProRIV
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| http://linked.open...i/riv/nazevZdroje
| - Journal of Molecular Structure
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| http://linked.open...in/vavai/riv/obor
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| http://linked.open...ichTvurcuVysledku
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| http://linked.open...cetTvurcuVysledku
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| http://linked.open...UplatneniVysledku
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| http://linked.open...v/svazekPeriodika
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| http://linked.open...iv/tvurceVysledku
| - Böhm, Stanislav
- Čejka, Jan
- Imrich, Ján
- Tomaščíková, Jana
- Potočňák, Ivan
- Danihel, Ivan
- Klika, Karel D.
- Kristián, Pavol
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| http://linked.open...ain/vavai/riv/wos
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| http://linked.open...n/vavai/riv/zamer
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| issn
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| number of pages
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| http://localhost/t...ganizacniJednotka
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| is http://linked.open...avai/riv/vysledek
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