Lynch V M, Mortimore M, Martin S F, Davis B E
Department of Chemistry, University of Texas, Austin 78712.
Acta Crystallogr C. 1991 Jan 15;47 ( Pt 1):234-6. doi: 10.1107/s0108270190006515.
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).
（1'S*,3S*,4a'S*,5a'S*,10a'R*）-3',4a',5a',6',7',8',10',10a'-八氢-2-羟基-1'-甲基-10'-氧代螺[3H-吲哚-3,6'-[1'H]吡喃并[3,4-f]吲哚嗪-4'-羧酸甲酯，（1），C21H22N2O5，Mr = 382.42，单斜晶系，P21/c，a = 12.920（4），b = 10.342，c = 15.192（8）Å，β = 105.68（3）°，V = 1954.4（14）Å3，Z = 4，Dχ = 1.30 g cm-3（298 K），μ = 0.8738 cm-1，钼Kα辐射，λ = 0.7107 Å，F(000) = 808，T = 298 K，对1000个反射R = 0.0800，F零大于或等于4σ(F零)。吲哚NH基团与吲哚嗪部分的酰胺氧O15'（由χ，0.5 - y，-0.5 + z相关）形成氢键，相关参数为：N...O 2.79（2）Å，H...O 2.02（15）Å，N-H...O 145（14）°。在O15'与H7'A（由-χ，0.5 + y，1.5 - z相关）之间还观察到2.28（8）Å的紧密非键接触。
