A 2 `-deoxycytidine long-linker click adduct forming two conformers in the asymmetric unit
DC Element | Wert | Sprache |
---|---|---|
dc.contributor.author | Seela, Frank | |
dc.contributor.author | Xiong, Hai | |
dc.contributor.author | Budow, Simone | |
dc.contributor.author | Eickmeier, Henning | |
dc.contributor.author | Reuter, Hans | |
dc.date.accessioned | 2021-12-23T16:05:31Z | - |
dc.date.available | 2021-12-23T16:05:31Z | - |
dc.date.issued | 2012 | |
dc.identifier.issn | 01082701 | |
dc.identifier.uri | https://osnascholar.ub.uni-osnabrueck.de/handle/unios/7045 | - |
dc.description.abstract | The title compound {systematic name: 4-amino-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-[6-(1-benzyl-1H-1, 2,3-triazol-4-yl)hex-1-ynyl]pyrimidin-2(1H)-one}, C24H28N6O4, shows two conformations in the crystalline state, viz. (I-1) and (I-2). The pyrimidine groups and side chains of the two conformers are almost superimposable, while the greatest differences between them are observed for the sugar groups. The N-glycosylic bonds of both conformers adopt similar anti conformations, with chi= -168.02 (12)degrees for conformer (I-1) and chi = -159.08 (12)degrees for conformer (I-2). The sugar residue of (I-1) shows an N-type (C3'-endo) conformation, with P = 33.1 (2)degrees and tau m = 29.5 (1)degrees, while the conformation of the 2'-deoxyribofuranosyl group of (I-2) is S-type (C3'-exo), with P similar to= 204.5 (2)degrees and tm = 33.8 (1)degrees. Both conformers participate in hydrogen-bond formation and exhibit identical patterns resulting in three-dimensional networks. Intermolecular hydrogen bonds are formed with neighbouring molecules of different and identical conformations (NH...N, NH... O, OH...N and OH...O). | |
dc.language.iso | en | |
dc.publisher | WILEY-BLACKWELL | |
dc.relation.ispartof | ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | |
dc.subject | AZIDE-ALKYNE CYCLOADDITION | |
dc.subject | Chemistry | |
dc.subject | Chemistry, Multidisciplinary | |
dc.subject | Crystallography | |
dc.subject | DNA | |
dc.subject | DUPLEX | |
dc.subject | LINKING | |
dc.subject | OLIGONUCLEOTIDES | |
dc.subject | SIDE-CHAINS | |
dc.title | A 2 `-deoxycytidine long-linker click adduct forming two conformers in the asymmetric unit | |
dc.type | journal article | |
dc.identifier.doi | 10.1107/S0108270112010682 | |
dc.identifier.isi | ISI:000302352100015 | |
dc.description.volume | 68 | |
dc.description.issue | 4 | |
dc.description.startpage | O174-O178 | |
dc.contributor.orcid | 0000-0002-8290-4729 | |
dc.contributor.orcid | 0000-0001-9065-4355 | |
dc.contributor.researcherid | N-3854-2014 | |
dc.contributor.researcherid | N-9429-2015 | |
dc.contributor.researcherid | H-9847-2014 | |
dc.publisher.place | COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA | |
dcterms.isPartOf.abbreviation | Acta Crystallogr. Sect. C-Cryst. Struct. Commun. | |
crisitem.author.dept | Institut für Chemie neuer Materialien | - |
crisitem.author.deptid | institute11 | - |
crisitem.author.parentorg | FB 05 - Biologie/Chemie | - |
crisitem.author.grandparentorg | Universität Osnabrück | - |
crisitem.author.netid | ReHa636 | - |
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geprüft am 17.05.2024