2-Methyl-3-(4-methylphenyl)-5,6-diphenyl-2,3-dihydropyrazine

被引：0

作者：

Thiruvalluvar, A. ^{[1
]}

Anuradha, N. ^{[1
]}

Chitra, S. ^{[2
]}

Devanathan, D. ^{[3
]}

Butcher, R. J. ^{[4
]}

机构：

[1] Rajah Serfoji Govt Coll Autonomous, Postgrad Res Dept Phys, Thanjavur 613005, Tamil Nadu, India

[2] KSR Coll Engn, Dept Chem, Tiruchengode 637215, Tamil Nadu, India

[3] Govt Arts Coll, Dept Chem, Chidambaram 608102, Tamil Nadu, India

[4] Howard Univ, Dept Chem, 525 Coll St NW, Washington, DC 20059 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2012年 / 68卷

关键词：

data-to-parameter ratio = 15.3; disorder in main residue; mean ̄(C-C) = 0.003 Å; R factor = 0.069; single-crystal X-ray study; T = 123 K; wR factor = 0.214;

D O I：

10.1107/S1600536812041438

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title molecule, C24H22N2, four atoms (N-C-C-N) of the heterocyclic ring, with their attached H atoms, and all atoms of the methyl group, are disordered over two positions; the site-occupancy factor of the major component is 0.713 (6). The major disorder component of the heterocyclic ring adopts a half-chair conformation, with all substituents equatorial. The benzene ring adjacent to the methyl group forms dihedral angles of 79.68 (11) and 80.92 (11)degrees with the phenyl rings; the dihedral angle between adjacent phenyl rings is 59.10 (11)degrees. The crystal structure features three C-H center dot center dot center dot pi interactions.

引用

页码：O3084 / +

页数：9

共 6 条

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Anuradha, N.
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[3] 2-Methyl-3,5,6-triphenyl-2,3-dihydropyrazine
Anuradha, N.
Thiruvalluvar, A.
Pandiarajan, K.
Chitra, S.
Butcher, R. J.
[J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 : O546 - U2032
[4] Farrugia L.J., 1997, J APPL CRYSTALLOGR, V30, P565, DOI [DOI 10.1107/S0021889897003117, 10.1107/S0021889897003117]
[5] A short history of SHELX
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[J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : 112 - 122
[6] Structure validation in chemical crystallography
Spek, Anthony L.
[J]. ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 : 148 - 155

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