15-crown-5

被引：10

作者：

Parsons, Simon ^{[1
]}

机构：

[1] Univ Edinburgh, Sch Chem, Edinburgh EH9 3JJ, Midlothian, Scotland

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2007年 / 63卷

关键词：

D O I：

10.1107/S1600536807026190

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

15-Crown-5 (systematic name: 1,4,7,10,13-pentaoxacylopentadecane), C10H20O5, which is liquid at room temperature, has been crystallized using in situ methods. It crystallizes with two different conformers in the asymmetric unit, which differ from those identified in conformational searches based on data mining and computational methods. The molecules interact through face-to-face C-H center dot center dot center dot O contacts to form layers which stack along the [001] direction.

引用

页码：O3130 / U2835

页数：12

共 10 条

[1] The Cambridge Structural Database: a quarter of a million crystal structures and rising [J].

Allen, FH .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 (3 PART 1) :380-388

[2] SIR92 - a program for automatic solution of crystal structures by direct methods [J].

ALTOMARE, A ;

CASCARANO, G ;

GIACOVAZZO, G ;

GUAGLIARDI, A ;

BURLA, MC ;

POLIDORI, G ;

CAMALLI, M .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1994, 27 :435-435

[3] CRYSTALS version 12: software for guided crystal structure analysis [J].

Betteridge, PW ;

Carruthers, JR ;

Cooper, RI ;

Prout, K ;

Watkin, DJ .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2003, 36 :1487-1487

[4]

BOESE R, 1994, CORRELATIONS TRANSFO

[5] Theoretical study of cation/ether complexes: 15-crown-5 and its alkali metal complexes [J].

Hill, SE ;

Feller, D .

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2000, 201 (1-3) :41-58

[6] Conformational analysis of macrocyclic ether ligands .2. 1,4,7,10,13-pentaoxacyclopentadecane and 1,4,7,10,13-pentathiacyclopentadecane [J].

Raithby, PR ;

Shields, GP ;

Allen, FH .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1997, 53 :476-489

[7]

Sheldrick G.M., 2007, SADABS

[8]

SHELDRICK GM, 1997, XP

[9]

*SIEM ANAL XRAY IN, 1995, SAINT

[10]

*SIEM ANAL XRAY IN, 1993, SMART

← 1 →