A very short O-H•••O hydrogen bond in the structure of clozapinium hydrogen bis(3,5-dinitrobenzoate)

被引：1

作者：

Shaibah, Mohammed A. E. ^{[1
]}

Kavitha, Channappa N. ^{[2
]}

Yathirajan, Hemmige S. ^{[1
]}

Foro, Sabine ^{[3
]}

Glidewell, Christopher ^{[4
]}

机构：

[1] Univ Mysore, Dept Studies Chem, Manasagangotri 570006, Mysuru, India

[2] Maharanis Sci Coll Women, Dept Chem, Mysuru 570001, India

[3] Tech Univ Darmstadt, Inst Mat Sci, Alarich Weiss Str 2, D-64287 Darmstadt, Germany

[4] Univ St Andrews, Sch Chem, St Andrews KY16 9ST, Fife, Scotland

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2020年 / 76卷

关键词：

clozapine; crystal structure; molecular conformation; hydrogen bonding; very short hydrogen bonds; supramolecular assembly; GRAPH-SET ANALYSIS; CRYSTAL-STRUCTURES; PHENYLPHOSPHONIC ACID; PATTERNS; 4,4'-SULFONYLDIPHENOL; 4,4'-THIODIPHENOL; ADDUCTS;

D O I：

10.1107/S2056989020012268

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title salt {systematic name: 446-chloro-2,9-diazatricyclo[9.4.0.0(3,8)]penta-deca-1 (15),3(8),4,6,9,11,13-heptaen-10-yl]-1-methylpiperazin-1-ium 3,5-dinitrobenzoate-3,5-dinitrobenzic acid (1/1)}, C18H20ClN4+center dot C7H3N2O6-center dot C7H4N2O6, there is a very short, asymmetric, O-H center dot center dot center dot O hydrogen bond [O center dot center dot center dot O = 2.453 (3) angstrom] within the anion. The oxygen atoms of one of the nitro groups of the anion are disordered over two sets of sites having occupancies of 0.56 (3) and 0.44 (3). The fused tricyclic portion of the cation adopts a butterfly conformation, with a dihedral angle of 45.59 (6)degrees between the planes of the two aryl rings. In the crystal, a combination of O-H center dot center dot center dot O, N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds links the component species into a three-dimensional framework. Comparisons are made with the structures of some related compounds.

引用

页码：1629 / +

页数：13

共 25 条

[1]

[Anonymous], 2009, CRYSALIS CCD CRYSALI

[2] The shortest symmetrical O-H•••O hydrogen bond has a low-barrier double-well potential [J].