Crystal structure and Hirshfeld surface analysis of 1-(tert-butylamino)-3-mesitylpropan-2-ol hemihydrate

被引：11

作者：

Khalilov, Ali N. ^{[1
,2
]}

Khrustalev, Victor N. ^{[3
,4
]}

Tereshina, Tatiana A. ^{[3
]}

Akkurt, Mehmet ^{[5
]}

Rzayev, Rovnag M. ^{[1
]}

Akobirshoeva, Anzurat A. ^{[6
]}

Mamedov, Ibrahim G. ^{[2
]}

机构：

[1] Azerbaijan State Econ Univ UNEC, Composite Mat Sci Res Ctr, H Aliyev Str 135, AZ-1063 Baku, Azerbaijan

[2] Baku State Univ, Dept Chem, Z Khalilov Str 23, AZ-1148 Baku, Azerbaijan

[3] RUDN Univ, Peoples Friendship Univ Russia, Miklukho Maklay St 6, Moscow 117198, Russia

[4] ND Zelinsky Inst Organ Chem RAS, Leninsky Prosp 47, Moscow 119991, Russia

[5] Erciyes Univ, Fac Sci, Dept Phys, TR-38039 Kayseri, Turkey

[6] Acad Sci Republ Tadzhikistan, Kh Yu Yusufbekov Pamir Biol Inst, 1 Kholdorova St, Khorog 736002, Gbao, Tajikistan

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2022年 / 78卷

关键词：

crystal structure; 1,2-amino alcohols; hydrogen bonds; C-H center dot center dot center dot pi interactions; Hirshfeld surface analysis;

D O I：

10.1107/S2056989022004297

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title compound, 2C(16)H(27)NO center dot H2O, crystallizes in the monoclinic P2(1)/c space group with two independent molecules (A and B) in the asymmetric unit. In the crystal, molecules A and B are linked through the water molecules by intermolecular O-H center dot center dot center dot O and O-H center dot center dot center dot N hydrogen bonds, producing chains along the b-axis direction. These chains are linked with neighboring chains parallel to the (103) plane via C-H center dot center dot center dot pi interactions, generating ribbons along the b-axis direction. The stability of the molecular packaging is ensured by van der Waals interactions between the ribbons. According to the Hirshfeld surface study, H center dot center dot center dot H interactions are the most significant contributors to the crystal packing (80.3% for molecule A and 84.8% for molecule B).

引用

页码：525 / +

页数：14

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