Crystal structure of 4,4 '-diethynylbiphenyl

被引：1

作者：

Tagg, Tei ^{[1
]}

McAdam, C. John ^{[2
]}

Robinson, Brian H. ^{[2
]}

Simpson, Jim ^{[2
]}

机构：

[1] Univ Malaysia Terengganu, Sch Fundamental Sci, Kuala Terengganu 21030, Malaysia

[2] Univ Otago, Dept Chem, POB 56, Dunedin, New Zealand

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷

关键词：

crystal structure; 4,4 '-diethynylbiphenyl; C-H center dot center dot center dot pi(ring) interactions; C C-H center dot center dot center dot pi contacts;

D O I：

10.1107/S2056989015011494

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title compound, C16H10, crystallizes with four unique molecules, designated 1-4, in the asymmetric unit of the monoclinic unit cell. None of the molecules is planar, with the benzene rings of molecules 1-4 inclined to one another at angles of 42.41 (4), 24.07 (6), 42.59 (4) and 46.88 (4)degrees, respectively. In the crystal, weak C-H center dot center dot center dot pi (ring) interactions, augmented by even weaker C C-H center dot center dot center dot pi(alkyne) contacts, generate a three-dimensional network structure with interlinked columns of molecules formed along the c-axis direction.

引用

页码：816 / +

页数：13

共 39 条

[1] CIF applications. XV. enCIFer: a program for viewing, editing and visualizing CIFs [J].

Allen, FH ;

Johnson, O ;

Shields, GP ;

Smith, BR ;

Towler, M .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2004, 37 :335-338

[2]

Allen FH, 1987, J CHEM SOC P2, V2, pS1, DOI DOI 10.1039/P298700000S1

[3] Comment on "On the presence of multiple molecules in the crystal asymmetric unit (Z′ > 1)'' by Gautam R.!Desiraju, CrystEngComm, 2007, 9, 91 [J].

Anderson, Kirsty M. ;

Steed, Jonathan W. .

CRYSTENGCOMM, 2007, 9 (04) :328-330

[4]

Bruker, 2011, APEX2 SAINT SADABS

[5] The reactions of some σ-alkynylnickel complexes with 7,7,8,8-tetracyanoquinodimethane [J].

Butler, Peter ;

Manning, Anthony R. ;

McAdam, C. John ;

Simpson, Jim .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2008, 693 (03) :381-392

[6] Synthesis, structure, and redox chemistry of ethenyl and ethynyl ferrocene polyaromatic dyads [J].

Cuffe, L ;

Hudson, RDA ;

Gallagher, JF ;

Jennings, S ;

McAdam, CJ ;

Connelly, RBT ;

Manning, AR ;

Robinson, BH ;

Simpson, J .

ORGANOMETALLICS, 2005, 24 (09) :2051-2060

[7]

Desiraju G. R., 1999, WEAK HYDROGEN BOND S, P169

[8] On the presence of multiple molecules in the crystal asymmetric unit (Z′ > 1) [J].

Desiraju, Gautam R. .

CRYSTENGCOMM, 2007, 9 (01) :91-92

[9] Electronic structure and near-IR transitions of FcC2R and FcC4R dyads [J].

Flood, A. H. ;

McAdam, C. J. ;

Gordon, K. C. ;

Kjaergaard, H. G. ;

Manning, A. M. ;

Robinson, B. H. ;

Simpson, J. .

POLYHEDRON, 2007, 26 (02) :448-455

[10] Long-Lived Charge Separation and Applications in Artificial Photosynthesis [J].

Fukuzumi, Shunichi ;

Ohkubo, Kei ;

Suenobu, Tomoyoshi .

ACCOUNTS OF CHEMICAL RESEARCH, 2014, 47 (05) :1455-1464

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