title: The structure of (+-)-21-oxoisopteropodine.
abstract: Methyl (1'S*,3S*,4a'S*,5a'S*,10a'R*)- 3',4a',5a',6',7',8',10',10a'-octahydro-2-hydroxy-1'-methyl-10'- oxospiro[3H-indole-3,6'-[1'H]pyrano[3,4-f]indolizine-4'-carb oxylate, (1), C21H22N2O5, Mr = 382.42, monoclinic, P21/c, a = 12.920 (4), b = 10.342 c = 15.192 (8) A, beta = 105.68 (3) degrees, V = 1954.4 (14) A3, Z = 4, D chi = 1.30 g cm-3 (298 K), mu = 0.8738 cm-1, Mo K alpha radiation, lambda = 0.7107 A, F(000) = 808, T = 298 K, R = 0.0800 for 1000 reflections, F zero greater than or equal to 4 sigma(F zero). The indole NH group is hydrogen bonded to the amide oxygen, O15' (related by chi, 0.5 -y, -0.5 + z), of the indolizine moiety with relevant parameters: N...O 2.79 (2)A, H...O 2.02 (15) A, N-H...O 145 (14) degrees. A close, non-bonded contact of 2.28 (8) A is also observed between O15' and H7'A (related by -chi, 0.5 + y, 1.5 - z).
authors.affiliation: Department of Chemistry, University of Texas, Austin 78712.
authors.forename: V M
authors.initials: VM
authors.lastname: Lynch
authors.forename: M
authors.initials: M
authors.lastname: Mortimore
authors.forename: S F
authors.initials: SF
authors.lastname: Martin
authors.forename: B E
authors.initials: BE
authors.lastname: Davis
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003460:Crystallization; D007211:Indoles / Q000737:chemistry*; D007212:Indolizines / Q000737:chemistry*; D015394:Molecular Structure; D014961:X-Ray Diffraction
chemical_list: D007211:Indoles; D007212:Indolizines; C069125:21-oxoisopteropodine