SYNTHESIS, CHARACTERIZATION AND UNUSUAL CRYSTAL-STRUCTURES OF 2 CYTOSINE CADMIUM(II) CHLORIDE COMPOUNDS

被引:31
作者
DEMUNNO, G
MAURO, S
PIZZINO, T
VITERBO, D
机构
[1] UNIV PALERMO,DIPARTIMENTO CHIM INORGAN,I-90123 PALERMO,ITALY
[2] UNIV TURIN,DIPARTIMENTO CHIM INORGAN CHIM FIS & CHIM MAT,I-10125 TURIN,ITALY
来源
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS | 1993年 / 07期
关键词
D O I
10.1039/dt9930001113
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Two cytosine (Cyt) cadmium(II) chloride compounds have been prepared and their crystal structures determined: [Cd(Cyt)3Cl][Cd(Cyt)Cl3].H2O 1 and [{CdCl2(H2O)2.2Cyt}n] 2. Compound 1 is triclinic, space group P1BAR, Z = 2, a = 7.243(2), b = 13.860(3), c = 14.113(3) angstrom, alpha = 95.07(2), beta = 90.79(2), gamma = 104.52(2)-degrees, R = 0.027; compound 2 is monoclinic, space group C2/c, Z = 4, a = 22.355(6), b = 3.853(1), c = 1 8.645(5) angstrom, beta = 115.43(2)-degrees, R = 0.038. Both crystal structures are rather unusual. Compound 1 consists of two different ionic moieties, in both of which the cytosine molecules co-ordinate through N (3) and more weakly through O(2). Thus, taking into account only the stronger N (3) interaction, the cadmium(II) ions have a distorted-tetrahedral arrangement. When also the weaker interactions with the carbonyl oxygens are considered, in the first moiety the metal ion is seven- and in the second it is five-co-ordinated. Compound 2 is not a cytosine complex, as the Cyt molecules are not linked to the Cd(II); the metal atoms form a one-dimensional chain through bridging chlorine atoms along the b axis. The arrangement around the cadmium atoms is octahedral and each metal is linked to four equatorial Cl atoms and to two axial water molecules. The cytosine bases are hydrogen bonded to these water molecules in an arrangement allowing both inter-base stacking interactions and base pairing via hydrogen bonds. The structures are compared with that of [CdCl2(mcyt)2] 3 (mcyt = 1-methylcytosine).
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页码:1113 / 1119
页数:7
相关论文
共 56 条
[2]   HEAVY-METAL ION INTERACTIONS WITH DEOXY NUCLEOTIDES - X-RAY CRYSTAL-STRUCTURES OF ORTHORHOMBIC AND MONOCLINIC FORMS OF 2'-DEOXY CYTIDINE 5'-MONOPHOSPHATE COMPLEXED WITH CD(II) [J].
AOKI, K ;
SAENGER, W .
JOURNAL OF INORGANIC BIOCHEMISTRY, 1984, 20 (03) :225-245
[3]   X-RAY CRYSTAL-STRUCTURE OF 1-1 MANGANESE-CYTOSINE 5'-PHOSPHATE COMPLEX - METAL BONDING TO BOTH O(2) OF BASE AND PHOSPHATE [J].
AOKI, K .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1976, (19) :748-749
[4]   REFINEMENT OF STRUCTURE OF B-DNA AND IMPLICATIONS FOR ANALYSIS OF X-RAY-DIFFRACTION DATA FROM FIBERS OF BIOPOLYMERS [J].
ARNOTT, S ;
HUKINS, DWL .
JOURNAL OF MOLECULAR BIOLOGY, 1973, 81 (02) :93-105
[5]   CRYSTAL-STRUCTURE OF A DIMERIC 1-METHYLCYTOSINE MERCURIC-CHLORIDE COMPLEX [J].
AUTHIERMARTIN, M ;
BEAUCHAMP, AL .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1977, 55 (07) :1213-1217
[6]   CRYSTAL STRUCTURE OF CYTOSINE [J].
BARKER, DL ;
MARSH, RE .
ACTA CRYSTALLOGRAPHICA, 1964, 17 (12) :1581-&
[7]  
BEAUCHAMP AL, 1984, INORG CHEM, V23, P2807
[8]   EVIDENCE FOR RESONANCE-ASSISTED HYDROGEN-BONDING .2. INTERCORRELATION BETWEEN CRYSTAL-STRUCTURE AND SPECTROSCOPIC PARAMETERS IN 8 INTRAMOLECULARLY HYDROGEN-BONDED 1,3-DIARYL-1,3-PROPANEDIONE ENOLS [J].
BERTOLASI, V ;
GILLI, P ;
FERRETTI, V ;
GILLI, G .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (13) :4917-4925
[9]   A NOVEL METAL-BINDING MODE OF CYTOSINE NUCLEOBASES - N(3),N(4) CHELATION [J].
BEYERLEPFNUR, R ;
SCHOLLHORN, H ;
THEWALT, U ;
LIPPERT, B .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1985, (21) :1510-1511
[10]   MOLECULAR ELECTROSTATIC POTENTIALS FOR NUCLEIC-ACID BASES - ADENINE, THYMINE, AND CYTOSINE [J].
BONACCORSI, R ;
TOMASI, J ;
SCROCCO, E ;
PULLMAN, A .
THEORETICA CHIMICA ACTA, 1972, 24 (01) :51-+