STRUCTURE OF 1-(3-METHYL-1-BUTENYL)PIPERIDIN-2-ONE

被引:4
作者
WOYDT, M
RADEMACHER, P
BRETT, WA
BOESE, R
机构
[1] UNIV ESSEN GESAMTHSCH,INST ORGAN CHEM,UNIV STR 5-7,POSTFACH 103764,W-4300 ESSEN 1,GERMANY
[2] UNIV ESSEN GESAMTHSCH,INST ANORGAN CHEM,W-4300 ESSEN 1,GERMANY
关键词
D O I
10.1107/S0108270191002652
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
C10H17NO, M(r) = 167.25, monoclinic, P2(1), a = 6.619 (1), b = 7.339 (1), c = 11.284 (2) angstrom, beta = 103.63 (1)-degrees, V = 532.72 (14) angstrom 3, Z = 2, D(x) = 1.043 Mg m-3, lambda(Mo K-alpha) = 0.71069 angstrom, mu = 0.06 mm-1, F(000) = 184, T = 250 K, final R = 0.082 for 838 observed reflections. Although disorder occurs in the six-membered lactam ring and the isopropyl group, the antiperiplanar conformation of the vinyl group relative to the amide system in the title compound is established. The crystal structure is stabilized by intermolecular hydrogen bonds between the vinylic beta-H atom and the carbonyl O atom of the next molecule, with a distance of 2.5 angstrom.
引用
收藏
页码:1936 / 1938
页数:3
相关论文
共 19 条
[1]   STRUCTURAL STUDIES OF CRYSTALLINE ENAMINES [J].
BROWN, KL ;
HOBI, R ;
DAMM, L ;
DUNITZ, JD ;
ESCHENMOSER, A ;
KRATKY, C .
HELVETICA CHIMICA ACTA, 1978, 61 (08) :3108-3135
[2]   INFLUENCE OF REMOTE SUBSTITUENTS ON IONIZATION-POTENTIAL .2. ENAMINES [J].
BROWN, RS .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1976, 54 (10) :1521-1527
[3]   RELATIVISTIC CALCULATION OF ANOMALOUS SCATTERING FACTORS FOR X-RAYS [J].
CROMER, DT ;
LIBERMAN, D .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) :1891-&
[4]   X-RAY SCATTERING FACTORS COMPUTED FROM NUMERICAL HARTREE-FOCK WAVE FUNCTIONS [J].
CROMER, DT ;
MANN, JB .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1968, A 24 :321-&
[5]  
DOMELSMITH LN, 1977, TETRAHEDRON LETT, V23, P1981
[6]  
HOESTEREY B, 1983, CHEM PHYS LETT, V95, P311
[7]   GAS-SOLID REACTIONS IN ORGANIC-SYNTHESIS [J].
KAUP, G ;
MATTHIES, D .
MOLECULAR CRYSTALS AND LIQUID CRYSTALS, 1988, 161 :119-143
[8]   MOLECULAR-STRUCTURE OF FORMAMIDE AS STUDIED BY GAS ELECTRON-DIFFRACTION [J].
KITANO, M ;
KUCHITSU, K .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1974, 47 (01) :67-72
[9]  
LAFON C, 1986, NEW J CHEM, V10, P69
[10]   THE STRUCTURE OF GASEOUS 2-AZETIDINONE AS STUDIED BY MICROWAVE SPECTROSCOPY, ELECTRON-DIFFRACTION AND ABINITIO CALCULATIONS [J].
MARSTOKK, KM ;
MOLLENDAL, H ;
SAMDAL, S ;
UGGERUD, E .
ACTA CHEMICA SCANDINAVICA, 1989, 43 (04) :351-363