1-Iodo-4-methoxy-2-nitrobenzene

被引：2

作者：

Wardell, James L. ^{[1
]}

Tiekink, Edward R. T. ^{[2
]}

机构：

[1] Fundacao Oswaldo Cruz FIOCRUZ, CDTS, BR-21040900 Rio De Janeiro, RJ, Brazil

[2] Univ Malaya, Dept Chem, Kuala Lumpur 50603, Malaysia

来源：

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

关键词：

data-to-parameter ratio = 16.7; mean σ(C-C) = 0.002 Å; R factor = 0.014; single-crystal X-ray study; T = 100 K; wR factor = 0.039;

D O I：

10.1107/S1600536812006484

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C 7H 6INO 3, the 12 non-H atoms are planar, with an r.m.s. deviation of 0.016 Å. A close intra-molecular I⋯O inter-action [3.0295 (13) Å] is present. Inter-molecular I⋯O inter-actions [3.3448 (13) Å] lead to the formation of zigzag chains along the b axis. These are assembled into layers by weak π-π inter-actions [centroid-centroid distance = 3.8416 (9) Å], and the layers stack along the a axis, being connected by C - H⋯O contacts.

引用

页码：O761 / U2444

页数：7

共 11 条

[1] VAN DER WAALS VOLUMES + RADII
BONDI, A
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1964, 68 (03) : 441 - +
[2] Brandenburg K., 2006, DIAMOND
[3] Farrugia L.J., 1997, J APPL CRYSTALLOGR, V30, P565, DOI [DOI 10.1107/S0021889897003117, 10.1107/S0021889897003117]
[4] Interplay of hydrogen bonds, iodo•••nitro interactions and aromatic π•••π stacking interactions in iodo-nitroanilines
Garden, SJ
Fontes, SP
Wardell, JL
Skakle, JMS
Low, JN
Glidewell, C
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2002, 58 (04) : 701 - 709
[5] Isomeric iodo-N-(nitrobenzyl)anilines:: interplay of hard and soft hydrogen bonds, iodo•••nitro interactions and aromatic π•••π stacking interactions
Glidewell, C
Low, JN
Skakle, JMS
Wardell, SMSV
Wardell, JL
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2004, 60 : 472 - 480
[6] Nine isomeric nitrobenzylidene-iodoanilines:: interplay of C-H•••O hydrogen bonds, iodo•••nitro interactions and aromatic π•••π stacking interactions
Glidewell, C
Howie, RA
Low, JN
Skakle, JMS
Wardell, SMSV
Wardell, JL
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 (05): : 864 - 876
[7] Halogen bonding in crystal engineering
Metrangolo, Pierangelo
Resnati, Giuseppe
Pilati, Tullio
Biella, Serena
[J]. HALOGEN BONDING: FUNDAMENTALS AND APPLICATIONS, 2008, 126 : 105 - 136
[8] Halogen bonding with dihalogens and interhalogens
Pennington, William T.
Hanks, Timothy W.
Arman, Hadi D.
[J]. HALOGEN BONDING: FUNDAMENTALS AND APPLICATIONS, 2008, 126 : 65 - 104
[9] Rigaku, 2011, CRYSTALCLEAR SM EXP
[10] A short history of SHELX
Sheldrick, George M.
[J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : 112 - 122

← 1 2 →