Redetermination of 5α-androstane-3,17-dione

被引：2
|
作者：
Jasinski, Jerry P. [1 ]
Butcher, Ray J. [2 ]
Al-arique, Q. N. M. Hakim [3 ]
Yathirajan, H. S. [3 ]
Narayana, B. [4 ]
机构：
[1] Keene State Coll, Dept Chem, Keene, NH 03435 USA
[2] Howard Univ, Dept Chem, Washington, DC 20059 USA
[3] Univ Mysore, Dept Studies Chem, Mysore 570006, Karnataka, India
[4] Mangalore Univ, Dept Studies Chem, Mangalagangothri 574199, Karnataka, India
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
关键词：
CRYSTAL; ANDROSTANES; BOND;
D O I：
10.1107/S1600536810019720
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The structure of the title compound, C(19)H(28)O(2), has been redermined at 295 (2) K, with much improved precision. The structure and molecular packing of the title compound was first reported by Coiro et al. [Acta Cryst. (1973). B29, 1404-1409] by means of potential-energy calculations. The cell parameters in this study differ considerably in space group C2. It is a derivative of testosterone and consists of a cyclopentanone ring (A) fused to to successive cyclohexane (B and C) and cyclohexanone (D) rings. The three cyclohexanone rings are in slightly distorted boat configurations and the cyclopentanone ring is a distorted half-chair. The crystal packing is stabilized by weak intermolecular C-H center dot center dot center dot O interactions involving O atoms from each of the cyclohexanone and cyclopentanone rings and H atoms from each of their respective rings.
引用
收藏
页码：O1517 / U2348
页数：12
相关论文
共 50 条
  • [31] MICROSCOPIC RATE CONSTANTS FOR THE ACETATE ION CATALYZED ISOMERIZATION OF 5-ANDROSTENE-3,17-DIONE TO 4-ANDROSTENE-3,17-DIONE - A MODEL FOR STEROID ISOMERASE
    ZENG, BF
    POLLACK, RM
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (10) : 3838 - 3842
  • [32] INHIBITION OF PERIPHERAL AROMATIZATION BY AROMATASE INHIBITORS, 4-HYDROXY-ANDROSTENE-3,17-DIONE AND 4-ACETOXY-ANDROSTENE-3,17-DIONE
    BRODIE, AMH
    LONGCOPE, C
    ENDOCRINOLOGY, 1980, 106 (01) : 19 - 21
  • [33] MICROBIOLOGICAL HYDROXYLATION OF 4-ANDROSTENE-3,17-DIONE
    ABULHAJJ, YJ
    LLOYDIA, 1970, 33 (02): : 278 - &
  • [34] ROLE OF 19-HYDROXY-DELTA4-ANDROSTENE-3,17-DIONE IN CONVERSION OF CIRCULATING DELTA-4-ANDROSTENE-3,17-DIONE TO ESTRONE
    KELLY, WG
    DELEON, O
    RIZKALLAH, TH
    JOURNAL OF CLINICAL ENDOCRINOLOGY & METABOLISM, 1976, 43 (01): : 190 - 194
  • [35] METABOLISM OF DELTA-1-ANDROSTENE-3,17-DIONE
    UNGAR, F
    DORFMAN, RI
    SCIENCE, 1952, 115 (2979) : 115 - 116
  • [36] Biotransformation of (+)-androst-4-ene-3,17-dione
    Choudhary, MI
    Sultan, S
    Khan, MTH
    Yasin, A
    Shaheen, F
    Atta-Ur-RAhman
    NATURAL PRODUCT RESEARCH, 2004, 18 (06) : 529 - 535
  • [37] AROMATIZATION OF DELTA-4-ANDROSTENE-3,17-DIONE, 19-HYDROXY-DELTA-4-ANDROSTENE-3,17-DIONE, AND 19-OXO-DELTA-4-ANDROSTENE-3,17-DIONE AT A COMMON CATALYTIC SITE IN HUMAN PLACENTAL MICROSOMES
    KELLY, WG
    JUDD, D
    STOLEE, A
    BIOCHEMISTRY, 1977, 16 (01) : 140 - 145
  • [38] CYCLIC KETALS OF 4-ANDROSTENE-3,17-DIONE
    HERZOG, HL
    JEVNIK, MA
    TULLY, ME
    HERSHBERG, EB
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1953, 75 (18) : 4425 - 4427
  • [39] IMPROVED RADIOIMMUNOASSAY FOR 4-ANDROSTENE-3,17-DIONE
    PARKER, LN
    GROVER, PK
    ODELL, WD
    STEROIDS, 1977, 29 (06) : 715 - 724
  • [40] 6-Methylideneandrost-4-ene-3,17-dione
    Andrade, L. C. R.
    de Almeida, M. J. M.
    Fernandes Roleira, F. M.
    Varela, C. L.
    Tavares da Silva, E. J.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O1263 - +
12345