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| Dokumentenart: | Artikel | ||||||||||
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| Titel eines Journals oder einer Zeitschrift: | Acta Crystallogr. C | ||||||||||
| Verlag: | Wiley | ||||||||||
| Band: | 68 | ||||||||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 6 | ||||||||||
| Seitenbereich: | o240-o246 | ||||||||||
| Datum: | 2012 | ||||||||||
| Zusätzliche Informationen (Öffentlich): | CAN 157:478373 Crystallography and Liquid Crystals 5814-41-5 Role: PRP (Properties), RCT (Reactant), RACT (Reactant or reagent) (crystal structure of and reaction with chloroacetyl chloride); 1397284-56-8P Role: PRP (Properties), SPN (Synthetic preparation), PREP (Preparation) (crystal structure of and reaction with chloroacetyl chloride); 64262-18-6P; 1590371-33-7P Role: RCT (Reactant), SPN (Synthetic preparation), PREP (Preparation), RACT (Reactant or reagent) (in dibenzob,ediazepinone and (hydroxydibenzob,ediazepinyl){(imidazolyl)propylpiperidinyl}ethanone ethanol monosolvate crystals); 1397284-55-7P Role: PRP (Properties), SPN (Synthetic preparation), PREP (Preparation) (prepn. and crystn. from ethanol of); 90747-59-4 Role: RCT (Reactant), RACT (Reactant or reagent) (reaction of (chloroacetyl)dibenzob,ediazepinone with (imidazolyl)propylpiperidine in anhyd. acetonitrile followed by addn. of potassium carbonate); 93986-09-5P Role: RCT (Reactant), SPN (Synthetic preparation), PREP (Preparation), RACT (Reactant or reagent) (reaction of (chloroacetyl)dibenzob,ediazepinone with (imidazolyl)propylpiperidine in anhyd. acetonitrile followed by addn. of potassium carbonate); 79-04-9 Role: RCT (Reactant), RACT (Reactant or reagent) (reaction of dibenzob,ediazepinone chloroacetyl chloride) | ||||||||||
| Institutionen: | Chemie und Pharmazie > Institut für Pharmazie > Lehrstuhl Pharmazeutische / Medizinische Chemie II (Prof. Buschauer) | ||||||||||
| Identifikationsnummer: |
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| Stichwörter / Keywords: | Dimers Role: PRP (Properties), SPN (Synthetic preparation), PREP (Preparation) (hydrogen-bonded in dibenzob,ediazepinone and (hydroxydibenzob,ediazepinyl){(imidazolyl)propylpiperidinyl}ethanone ethanol monosolvate crystals) Hydrogen bond (in dibenzob,ediazepinone and (hydroxydibenzob,ediazepinyl){(imidazolyl)propylpiperidinyl}ethanone ethanol monosolvate crystals) Crystal structure Molecular structure (of dibenzob,ediazepinone and (hydroxydibenzob,ediazepinyl){(imidazolyl)propylpiperidinyl}ethanone ethanol monosolvate) mol structure dibenzodiazepinone acylated deriv crystal structure dibenzodiazepinone acylated deriv hydrogen bond dimer dibenzodiazepinone acylated deriv | ||||||||||
| Dewey-Dezimal-Klassifikation: | 500 Naturwissenschaften und Mathematik > 540 Chemie | ||||||||||
| Status: | Veröffentlicht | ||||||||||
| Begutachtet: | Ja, diese Version wurde begutachtet | ||||||||||
| An der Universität Regensburg entstanden: | Nein | ||||||||||
| Dokumenten-ID: | 32268 |
Zusammenfassung
In two dibenzodiazepinones, viz. the tricyclic core structure, 5H-dibenzob,ediazepin-11(10H)-one, C13H10N2O, and an acylated deriv., 1-(11-hydroxy-5H-dibenzob,ediazepin-5-yl)-2-{4-3-(1H-imidazol-1-yl)propylpiperidin-1-yl}ethanone EtOH monosolvate, C26H29N5O2·EtOH, dimeric assocn. via H-bond bridging between the cyclic amide entities is evident, but there are considerable differences between the ...
Zusammenfassung
In two dibenzodiazepinones, viz. the tricyclic core structure, 5H-dibenzob,ediazepin-11(10H)-one, C13H10N2O, and an acylated deriv., 1-(11-hydroxy-5H-dibenzob,ediazepin-5-yl)-2-{4-3-(1H-imidazol-1-yl)propylpiperidin-1-yl}ethanone EtOH monosolvate, C26H29N5O2·EtOH, dimeric assocn. via H-bond bridging between the cyclic amide entities is evident, but there are considerable differences between the parent compd. and the amidated deriv. Highly consistent with reported structures of related tricyclic lactams, two mols. of the nonsubstituted compd. are bridged through two N-H···O H bonds across a crystallog. center of symmetry and the bond lengths of the cyclic amide entity correspond to the amino-oxo (lactam) tautomeric form. In contrast, the structure of the deriv. shows two similar, but crystallog. unique, mols. H bonded into a dimeric unit exhibiting an approx. (noncrystallog.) C2 axis. The bond lengths of the two deriv. cyclic amide groups support their potential presence in the hydroxyimine (lactim) tautomeric forms, with the resulting possibility of intermol. tautomerism. Likely driving forces for the two extreme configurations are discussed. Crystallog. data are given. on SciFinder(R)
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