- 作者: Rychlewska, Urszula ; Hodgson, Derek J. ; 葉玉堂 等
- 作者服務機構: Dept. of Chemistry, Univ. of Wyoming, Laramie, Wyoming, U.S.A.
- 中文摘要: The crystal and molecular structures of three sydnone derivatives are reported. The compound 3-cyclohexylsydnone crystallizes in space group C2/c of the monoclinic system with sixteen molecules in a cell of dimensions a=19.326(3), b=9.471(2), c=20. 005(4).ANG., .beta.=106.85(1).degree.. The structure has been refined to a final value of 0.0581 for the conventional R-factor based on 2222 independent observed intensities. Form I of 3-(3-pyridyl)sydnone crystallizes in space group P2/n of the monoclinic system with eight molecules in a cell of dimensions a=7.317(2), b=9.283(2), c=20.891(6).ANG., .beta.=99.61(2).degree.. The structure has been refined to a final value of 0.0514 for the conventional R-factor based on 1208 independent observed intensities. Form II of 3-(3-pyridyl)sydnone crystallizes in space group P2/sub 1//c of the monoclinic system with eight molecules in a cell of dimensions a=9.073(2), b=22.267(5), c=7.494(2).ANG., .beta.=112.15(2).degree.. The structure has been refined to a final value of 0.0462 for the conventional R-factor based on 1330 independent observed intensities. Each of the three structures contains two crystallographically independent molecules in the cell. In the case of 3-cyclohexylsydnone , one of the independent molecules exhibits disorder around the exocyclic bond at N(3). A comparison of bond lengths indicates that the(electron donating) cyclohexyl group brings about enhanced electron density in the N(3)-C(4) bond, and possibly in the N(3)-N(2) bond. All three structures studied here exhibit intermolecular hydrogen bonding involving C(4)-H(4)...O(6) interactions. Although there are no stacking interactions in the cyclohexyl derivative, there is evidence for such interactions in the 3-pyridyl derivatives.
- 英文摘要: --
- 中文關鍵字: Sydnone Derivative; 3-(3-Pyridyl)Sydnone; 3-Cyclohexylsydnone; Mesoionic Compound; Crystal Structure
- 英文關鍵字: 雪梨酮衍生物;3-(3-啶基)雪梨酮;3-環己基雪梨酮;中離子化合物;晶體結構