Dehydroretronecine, C8H11NO2

Acta Crystallographica Section C Crystal Structure Communications
1985.0

Abstract

Mr= 153.2, orthorhombic, P212121, a= 7.370(1), b=8.148(1), c=12.847(1)A, V= 771.5(1) A 3, Z=4, D x=1.319Mgm -3, 2(CuKa) =1.5418A, #=0.69mm -1, F(000)=328, T= 289 (1)K. Final R =0.045 for 685 observed reflections. The pyrrolizidine nucleus is planar within +0.04 (1) A except for C(6) which lies on the opposite side of the plane from the C(7)-hydroxyl oxygen substituent; bond lengths in ring B indicate extensive electron delocalization. Hydrogen bonds involving only the hydroxyl substituents link the molecules into sheets perpendicular to the c axis. M r = 497.49, monoclinic, C2/c, a = 39.306(14), b=6.974(3), c=21.291(8)A, fl= 121.83 (3) °, V= 4959 (4) A 3, Z = 8, D m = 1.33 (2), Dx= 1.33 g cm -3, 2(Cu Ka) = 1.54178 .A, # = 8.51cm -~, F(000)=2096, room temperature, R= 0.046 for 1700 observed reflections. The imidazole ring is protonated and is in the same plane as the benzene ring containing the nitro group. Two imidazole rings related by the center of symmetry are linked to each other through four water molecules at the H-N site. The molecules are packed in sheets parallel to the ac plane. The hydration or dehydration of the crystal structure is related to the color change of the crystal

Knowledge Graph

Similar Paper

Dehydroretronecine, C8H11NO2
Acta Crystallographica Section C Crystal Structure Communications 1985.0
Nuclear magnetic resonance spectra of pyrrolizidine alkaloids. II. The pyrrolizidine nucleus in ester and non-ester alkaloids and their derivatives
Australian Journal of Chemistry 1965.0
Semisynthetic pyrrolizidine alkaloid antitumor agents
The Journal of Organic Chemistry 1982.0
The crystal and molecular structure of the methiodide of swazine, an alkaloid from senecio swaziensis compton.
Tetrahedron Letters 1972.0
Grantaline, C18H25NO6, a pyrrolizidine alkaloid
Acta Crystallographica Section C Crystal Structure Communications 1983.0
Structural elucidation of a novel pyrrolizidine alkaloid isolated from Crotalaria retusa L.
Journal of Molecular Structure 2022.0
Diospyrin
Acta Crystallographica Section C Crystal Structure Communications 2004.0
The Crystal and Molecular Structure of Palythine Trihydrate
Bulletin of the Chemical Society of Japan 1980.0
Application of 2H n.m.r. spectroscopy to study the incorporation of enantiomeric [2-2H]-labelled putrescines into the pyrrolizidine alkaloid retrorsine
Journal of the Chemical Society, Perkin Transactions 1 1987.0
Structure of buxenine-G. X-ray diffraction studies of buxenine-G dihydrobromide and dihydroiodide
Journal of the Chemical Society B: Physical Organic 1971.0