(E)-tert-Butyl 2-(5-{[4-(dimethylamino)phenyl] diazenyl}-2,6-dioxo-1H-pyrimid-in-3-yl) acetate dichloromethane monosolvate

被引：2

作者：

Hudson, Robert H. E. ^{[1
]}

Moustafa, Mohamed E. ^{[1
]}

Boyle, Paul D. ^{[1
]}

机构：

[1] Univ Western Ontario, Dept Chem, 1151 Richmond St, London, ON N6A 5B7, Canada

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷

基金：

加拿大自然科学与工程研究理事会;

关键词：

data-toparameter ratio = 15.9; disorder in solvent or counterion; mean σ(C-C) = 0.003 A°; R factor = 0.051; single-crystal X-ray study; T = 150 K; wR factor = 0.128;

D O I：

10.1107/S1600536814007521

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C18H23N5O4 center dot CH2Cl2,the dichloromethane solvent molecule is disordered over two sets of sites in a 0.630 (13):0.370 (13) ratio. The dihedral angle between the uracil and phenyl rings is 30.2 (1)degrees. In the crystal, the principal interactions are N-H center dot center dot center dot O hydrogen bonds, which link uracil units across centres of symmetry, forming eight-membered rings with an R-2(2)(8) graph-set motif. The structure also displays C-H center dot center dot center dot O and C-H center dot center dot center dot Cl hydrogen bonds. Intramolecular C-H center dot center dot center dot O short contacts are also observed.

引用

页码：O556 / +

页数：10

共 13 条

[1]

Asanuma H, 1999, ANGEW CHEM INT EDIT, V38, P2393, DOI 10.1002/(SICI)1521-3773(19990816)38:16<2393::AID-ANIE2393>3.0.CO

[2]

2-7

[3]

*BRUK, 2008, SAINT

[4] Intrinsically Fluorescent Base-Discriminating Nucleoside Analogs [J].

Dodd, D. W. ;

Hudson, R. H. E. .

MINI-REVIEWS IN ORGANIC CHEMISTRY, 2009, 6 (04) :378-391

[5] NRCVAX - AN INTERACTIVE PROGRAM SYSTEM FOR STRUCTURE-ANALYSIS [J].

GABE, EJ ;

LEPAGE, Y ;

CHARLAND, JP ;

LEE, FL ;

WHITE, PS .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1989, 22 :384-387

[6]

Moustafa M. E., 2011, THESIS

[7] AN AZO-BASED PNA MONOMER: SYNTHESIS AND SPECTROSCOPIC STUDY [J].

Moustafa, Mohamed E. ;

Hudson, Robert H. E. .

NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS, 2011, 30 (7-9) :740-751

[8]

Nonius, 1999, COLLECT

[9] A short history of SHELX [J].

Sheldrick, George M. .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122

[10] REINVESTIGATION OF STRUCTURES FOR 5-DIAZOURACIL, 5-DIAZOURIDINE, 5-DIAZO-2'-DEOXYURIDINE AND CERTAIN RELATED DERIVATIVES BY PROTON MAGNETIC-RESONANCE SPECTROSCOPY [J].

THURBER, TC ;

TOWNSEND, LB .

JOURNAL OF HETEROCYCLIC CHEMISTRY, 1972, 9 (03) :629-&

← 1 2 →