3-Benzyl-6-benzylamino-1-methyl-5-nitro-1,2,3,4-tetrahydropyrimidine

被引:0
作者
Kannan, M. [1 ]
Manivel, P. [1 ]
Sarathbabu, M. [2 ]
Sathishkumar, R. [3 ]
Rao, H. Surya Prakash [2 ]
Krishna, R. [1 ]
机构
[1] Pondicherry Univ, Ctr Bioinformat, Pondicherry 605014, India
[2] Pondicherry Univ, Dept Chem, Pondicherry 605014, India
[3] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
关键词
Data-to-parameter ratio = 17.5; Mean σ(C-C) = 0.004 Å; R factor = 0.067; Single-crystal X-ray study; T = 292 K; WR factor = 0.160;
D O I
10.1107/S160053681000348X
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C19H22N4O2, the tetrahydropyrimidine ring adopts an envelope conformation (with the N atom connected to the benzyl group representing the flap). This benzyl group occupies a quasi-axial position. The two benzyl groups lie over the tetrahydropyridimidine ring. The amino group is a hydrogen-bond donor to the nitro group.
引用
收藏
页码:O515 / U4095
页数:11
相关论文
共 9 条
[1]  
[Anonymous], 2009, CRYSALIS CCD CRYSALI
[2]   DIHYDROPYRIMIDINE CALCIUM-CHANNEL BLOCKERS .3. 3-CARBAMOYL-4-ARYL-1,2,3,4-TETRAHYDRO-6-METHYL-5-PYRIMIDINECARBOXYLIC ACID-ESTERS AS ORALLY EFFECTIVE ANTIHYPERTENSIVE AGENTS [J].
ATWAL, KS ;
SWANSON, BN ;
UNGER, SE ;
FLOYD, DM ;
MORELAND, S ;
HEDBERG, A ;
OREILLY, BC .
JOURNAL OF MEDICINAL CHEMISTRY, 1991, 34 (02) :806-811
[3]  
CHANDA K, 2004, MOLBANK, pM367
[4]   GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].
CREMER, D ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358
[5]  
Farrugia L.J., 1997, J. Appl. Crystallogr., V30, P565, DOI [10.1107/S0021889897003117, DOI 10.1107/S0021889897003117]
[6]   Design and synthesis of a conformationally rigid mimic of the dihydropyrimidine calcium channel modulator SQ 32,926 [J].
Jauk, B ;
Pernat, T ;
Kappe, CO .
MOLECULES, 2000, 5 (03) :227-239
[7]   Synthesis and biological characterization of 1,4,5,6-tetrahydropyrimidine and 2-amino-3,4,5,6-tetrahydropyridine derivatives as selective m1 agonists [J].
Messer, WS ;
Abuh, YF ;
Liu, Y ;
Periyasamy, S ;
Ngur, DO ;
Edgar, MAN ;
ElAssadi, AA ;
Sbeih, S ;
Dunbar, PG ;
Roknich, S ;
Rho, T ;
Fang, Z ;
Ojo, B ;
Zhang, H ;
Huzl, JJ ;
Nagy, PI .
JOURNAL OF MEDICINAL CHEMISTRY, 1997, 40 (08) :1230-1246
[8]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[9]   Structure validation in chemical crystallography [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155