2-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]malononitrile

被引：2

作者：

Karthikeyan, S. ^{[1
]}

Sethusankar, K. ^{[1
]}

Devaraj, Anthonisamy ^{[2
]}

Bakthadoss, Manickam ^{[2
]}

机构：

[1] RKM Vivekananda Coll Autonomous, Dept Phys, Madras 600004, Tamil Nadu, India

[2] Univ Madras, Dept Organ Chem, Madras 600025, Tamil Nadu, India

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷

关键词：

data-to-parameter ratio = 21.4; mean σ(C-C) = 0.002 Å; R factor = 0.048; single-crystal X-ray study; T = 295 K; wR factor = 0.142;

D O I：

10.1107/S1600536811049816

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C11H5N3O4, the nitro group is rotated by 29.91 (16)degrees out of the plane of the adjacent aryl ring. The 1,3-benzodioxole ring is nearly planar, with a maximium deviation of 0.0562 (10) angstrom. The dioxolene ring adopts an envelope conformation on the O-C-O C atom. In the crystal, molecules are linked via C-H center dot center dot center dot O interactions, resulting in R-2(2)(6) and R-2(2)(12) graph-set motifs.

引用

页码：O3469 / U429

页数：9

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