1-Phenyl-5-(piperidinomethyl)-1H-tetrazole

被引:6
作者
Lyakhov, AS [1 ]
Voitekhovich, SV [1 ]
Gaponik, PN [1 ]
Ivashkevich, LS [1 ]
机构
[1] Belarusian State Univ, Phys Chem Res Inst, Minsk 220050, BELARUS
来源
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY | 2004年 / 60卷 / 04期
关键词
D O I
10.1107/S0108270104005554
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
In the molecule of the title 1,5-disubstituted tetrazole, C13H17N5, the tetrazole and benzene rings are not coplanar, having a dihedral angle of 42.96 (5)degrees between them. The piperidine fragment adopts a chair conformation, and there is a non-classical intramolecular contact between the benzene H atom and the piperidine N atom. Intermolecular C-H...pi interactions involving the piperidine C-H groups and the benzene rings are responsible for the formation of two-dimensional networks, extending parallel to the ab plane. These networks are linked together into a three-dimensional polymeric structure via pi-pi stacking interactions between the tetrazole rings of two adjacent molecules.
引用
收藏
页码:O293 / O294
页数:2
相关论文
共 9 条
[1]   The Cambridge Structural Database: a quarter of a million crystal structures and rising [J].
Allen, FH .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 (3 PART 1) :380-388
[2]   SIR97:: a new tool for crystal structure determination and refinement [J].
Altomare, A ;
Burla, MC ;
Camalli, M ;
Cascarano, GL ;
Giacovazzo, C ;
Guagliardi, A ;
Moliterni, AGG ;
Polidori, G ;
Spagna, R .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1999, 32 :115-119
[4]   Dichloro[N,N-dimethyl-1-(1-methyl-1H-tetrazol-5-yl-κN4)methanamine-κN]copper(II) [J].
Ivashkevich, DO ;
Lyakhov, AS ;
Voitekhovich, SV ;
Gaponik, PN .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2002, 58 :M563-M564
[5]  
KARAVAI VP, 1991, KHIM GETEROTSIKL+, P66
[6]   Zwitterionic 5-(1-piperidiniomethyl)-1H-tetrazolide [J].
Lyakhov, AS ;
Voitekhovich, SV ;
Gaponik, PN ;
Ivashkevich, LS .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2003, 59 :O22-O23
[7]  
*NIC XRD CORP, 1980, R3M SOFTW
[8]  
Sheldrick GM, 2015, ACTA CRYSTALLOGR C, V71, P3, DOI [10.1107/S2053229614024218, 10.1107/S0108767307043930]
[9]   Single-crystal structure validation with the program PLATON [J].
Spek, AL .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2003, 36 :7-13