3-Bromo-6-nitro-1-(prop-2-ynyl)-1H-indazole

被引：2

作者：

El Brahmi, Nabil ^{[2
]}

Benchidmi, Mohamed ^{[2
]}

Essassi, El Mokhtar ^{[2
]}

Ladeira, Sonia ^{[3
]}

Ng, Seik Weng ^{[1
,4
]}

机构：

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

[2] Univ Mohammed V Agdal, Lab Chim Organ Heterocycl, Rabat, Morocco

[3] CNRS, Chim Coordinat Lab, F-31077 Toulouse, France

[4] King Abdulaziz Univ, Dept Chem, Jeddah 21413, Saudi Arabia

来源：

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

关键词：

data-to-parameter ratio = 21.1; mean σ(C-C) = 0.003 Å; R factor = 0.028; single-crystal X-ray study; T = 295 K; wR factor = 0.079;

D O I：

10.1107/S1600536811046927

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(10)H(6)BrN(3)O(2), the indazole fused-ring system is nearly planar (r.m.s. deviation = 0.008 angstrom); its nitro substituent is nearly coplanar with the fused ring [dihedral angle = 4.5 (2)degrees]. In the crystal, adjacent molecules are linked by weak acetylene-nitro C-H center dot center dot center dot O hydrogen bonds, generating a helical chain running along the b axis.

引用

页码：O3260 / U1522

页数：8

共 6 条

[1] [Anonymous], 2009, SAINT
[2] Barbour L.J., 2001, J SUPRAMOL CHEM, V1, P189, DOI [DOI 10.1016/S1472-7862(02)00030-8, 10.1016/S1472-7862(02)00030-8]
[3] 1-Allyl-3-chloro-6-nitro-1H-indazole
El Brahmi, Nabil
Mohamed, Benchidmi
Essassi, El Mokhtar
Zouihri, Hafid
Ng, Seik Weng
[J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 : O2320 - +
[4] Sheldrick G.M., 1996, SADABS
[5] A short history of SHELX
Sheldrick, George M.
[J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : 112 - 122
[6] publCIF: software for editing, validating and formatting crystallographic information files
Westrip, Simon P.
[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2010, 43 : 920 - 925

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