Nonmerohedrally twinned 6-amino-3-methyluracil-5-carbaldehyde: a hydrogen-bonded ribbon containing four types of ring

被引:2
作者
de la Torre, Jose M. [2 ]
Trilleras, Jorge [3 ]
Cobo, Justo [2 ]
Glidewell, Christopher [1 ]
机构
[1] Univ St Andrews, Sch Chem, St Andrews KY16 9ST, Fife, Scotland
[2] Univ Jaen, Dept Quim Inorgan & Organ, Jaen 23071, Spain
[3] Univ Valle, Grp Invest Compuestos Heterocicl, Dept Quim, Cali 25360, Colombia
来源
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY | 2009年 / 65卷
关键词
SUPRAMOLECULAR STRUCTURES; 6-AMINO-5-FORMYL-1,3-DIMETHYLURACIL MONOHYDRATE; INTERPLAY; SHEETS;
D O I
10.1107/S0108270109013493
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
In the title compound [systematic name: 6-amino-5-formyl-3-methylpyrimidine- 2,4(1H, 3H)-dione], C6H7N3O3, the intramolecular dimensions provide evidence for some polarization of the electronic structure. There is an intramolecular N-H center dot center dot center dot O hydrogen bond; this and a combination of three intermolecular N-H center dot center dot center dot O hydrogen bonds generate an almost planar ribbon containing S(6), R-2(2)(4), R-2(1)(6) and R-4(4)(16) rings. These ribbons are linked into sheets by a dipolar carbonyl carbonyl interaction. The structure was refined as a nonmerohedral twin, with twin fractions 0.7924(1) and 0.2076 (10).
引用
收藏
页码:O281 / O283
页数:3
相关论文
共 23 条
[1]   TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].
ALLEN, FH ;
KENNARD, O ;
WATSON, DG ;
BRAMMER, L ;
ORPEN, AG ;
TAYLOR, R .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12) :S1-S19
[2]   Carbonyl-carbonyl interactions can be competitive with hydrogen bonds [J].
Allen, FH ;
Baalham, CA ;
Lommerse, JPM ;
Raithby, PR .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1998, 54 :320-329
[3]  
[Anonymous], 1999, COLLECT
[4]   PATTERNS IN HYDROGEN BONDING - FUNCTIONALITY AND GRAPH SET ANALYSIS IN CRYSTALS [J].
BERNSTEIN, J ;
DAVIS, RE ;
SHIMONI, L ;
CHANG, NL .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1995, 34 (15) :1555-1573
[5]  
CHERDANTSEVA NM, 1983, KHIM GETEROTSIKL, V6, P834
[6]   N 6-substituted 2-amino-4-chloro-5-formylpyrimidines:: puckered versus planar pyrimidine rings, and hydrogen-bonded aggregation in zero, one, two and three dimensions [J].
Cobo, Justo ;
Trilleras, Jorge ;
Quiroga, Jairo ;
Marchal, Antonio ;
Nogueras, Manuel ;
Low, John N. ;
Glidewell, Christopher .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2008, 64 :596-609
[7]   Redetermination of 6-amino-5-formyl-1,3-dimethyluracil monohydrate at 120 K: a polarized molecular structure and two interwoven hydrogen-bonded frameworks [J].
de la Torre, Jose M. ;
Nogueras, Manuel ;
Cobo, Justo ;
Low, John N. ;
Glidewell, Christopher .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2007, 63 :O638-O640
[8]   An intensity evaluation method:: EVAL-14 [J].
Duisenberg, AJM ;
Kroon-Batenburg, LMJ ;
Schreurs, AMM .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2003, 36 :220-229
[9]   Accurate cells from area-detector images [J].
Duisenberg, AJM ;
Hooft, RWW ;
Schreurs, AMM ;
Kroon, J .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2000, 33 (02) :893-898
[10]   COVALENT NATURE OF THE STRONG HOMONUCLEAR HYDROGEN-BOND - STUDY OF THE O-H---O SYSTEM BY CRYSTAL-STRUCTURE CORRELATION METHODS [J].
GILLI, P ;
BERTOLASI, V ;
FERRETTI, V ;
GILLI, G .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (03) :909-915