CRYSTAL AND MOLECULAR-STRUCTURE OF 1-(3,5-DIMETHYL-2-FURYL)-3-(P-TOLYL)-PROP-2-EN-1-ONE

被引:5
作者
FURMANOVA, NG [1 ]
SOROKINA, NI [1 ]
ANDRIANOV, VI [1 ]
BOLOGA, U [1 ]
BALABAN, AT [1 ]
机构
[1] POLYTECH INST,DEPT ORGAN CHEM,R-77206 BUCHAREST,ROMANIA
关键词
D O I
10.1007/BF00676827
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The structure of 1-(3,5-dimethyl-2-furyl)-3-(p-tolyl)-prop-2-en-1-one, C16H16O2 is determined by single-crystal x-ray diffractometry. Crystals are triclinic, P1BAR, a = 7.381(7), b = 8.871(5), c = 10.745(13) angstrom, alpha = 93.53(7), beta = 102.25(8), gamma = 95.43(7)-degrees, V = 682(1) angstrom3, Z = 2, d(calc) = 1.170 g cm-3, lambda (Cu K(alpha)) = 1.54178 angstrom, mu = 5.697 cm-1, M = 270.30. F(000) = 256, R = 0.077 for 1601 unique observed reflections. The trans-geometry of the C = C double bond, the s-cis-geometry of the C = C-C = O moiety, and the s-trans arrangement of the carbonyl and furane oxygen atoms are proved.
引用
收藏
页码:651 / 654
页数:4
相关论文
共 11 条
[1]  
ANDRIANOV VI, 1987, KRISTALLOGRAFIYA+, V32, P41
[2]  
ANDRIANOV VI, 1987, KRISTALLOGRAFIYA+, V32, P228
[3]   CONFORMATIONAL-ANALYSIS OF ORGANIC CARBONYL-COMPOUNDS .7. CONFORMATIONAL PROPERTIES OF AROYL DERIVATIVES OF FURAN AND BENZO[B]FURAN STUDIED BY X-RAY CRYSTALLOGRAPHY, NMR LANTHANIDE-INDUCED SHIFTS, AND ABINITIO MO CALCULATIONS [J].
BENASSI, R ;
FOLLI, U ;
IAROSSI, D ;
SCHENETTI, L ;
TADDEI, F ;
MUSATTI, A ;
NARDELLI, M .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (10) :1443-1454
[4]  
BOLOGA U, 1989, REV ROUM CHIM, V34, P1131
[5]  
DECLERCQ JP, 1978, B SOC CHIM BELG, V87, P239
[6]   CONFORMATIONAL STUDIES .2. CRYSTAL AND MOLECULAR STRUCTURES OF 3-BROMO-2'-NITROCHALCONE, 3-CHLORO-2'-NITROCHALACONE, AND 4-BROMO-2'-NITROCHALCONE [J].
JUNGK, AE ;
SCHMIDT, GMJ .
JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC, 1970, (07) :1427-&
[7]   TOPOCHEMICAL STUDIES .2. CRYSTAL AND MOLECULAR-STRUCTURE OF SECOND POLYMORPH OF CHALCONE, PH-CH=CH-CO-PH [J].
OHKURA, K ;
KASHINO, S ;
HAISA, M .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1973, 46 (02) :627-628
[8]   TOPOCHEMISTRY .29. CRYSTAL AND MOLECULAR STRUCTURES OF PARA METHOXYCHALCONE [J].
RABINOVI.D ;
SCHMIDT, GMJ .
JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC, 1970, (01) :6-&
[9]   TOPOCHEMISTRY .34. CRYSTAL AND MOLECULAR-STRUCTURE OF P'-BROMOCHALCONE [J].
RABINOVICH, D ;
SCHMIDT, GMJ ;
SHAKED, Z .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1973, (01) :33-37
[10]  
RABINOVICH D, 1974, Z ACTA CRYSTALOOGR B, V30, P2829