Molecular and crystal structure of 4-ethoxycarbonyloxy-1-oxo-1H-phthalazine-2-carboxylic acid ethyl ester

被引：2
|
作者：
Rajnikant [1 ]
Dinesh
Kamni
Deshmukh, M. B.
机构：
[1] Univ Jammu, Post Grad Dept Phys, Condensed Matter Phys Grp, Jammu 180006, India
[2] Shivaji Univ, Dept Chem, Kolhapur 416004, Maharashtra, India
来源：
CRYSTALLOGRAPHY REPORTS | 2006年 / 51卷 / 04期
关键词：
61.66.Hg;
D O I：
10.1134/S1063774506040122
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The molecular and crystal structure of 4-ethoxycarbonyloxy-1-oxo-1H-phthalazine 2-carboxylic acid ethyl ester has been elucidated by X-ray diffraction methods. The compound crystallizes in the orthorhombic crystal system (space group Pc) with the unit cell parameters a = 10.758(9), b = 4.631(3), c = 14.957(7) angstrom, beta = 107.30(6)degrees and Z = 2. The structure has been solved by direct methods and refined to a final R value of 0.060 for 870 observed reflections [F-o > 4 sigma(F-o)]. The presence of a large number of intra-and intermolecular interactions makes the molecule look like a four-ring structure. The structure is stabilized by C-H center dot center dot center dot O hydrogen bonds.
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收藏
页码：615 / 618
页数：4
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