Crystal structure and Hirshfeld surface analysis of N-{[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl}-1-phenyl-N-(prop-2-en-1-yl)methanesulfonamide

被引：0

作者：

Khrustalev, Victor N. ^{[1
,2
]}

Celikesir, Sevim Turktekin ^{[3
]}

Akkurt, Mehmet ^{[3
]}

Kolesnik, Irina A. ^{[4
]}

Potkin, Vladimir, I ^{[4
]}

Mlowe, Sixberth ^{[5
]}

机构：

[1] Peoples Friendship Univ Russia RUDN Univ, 6 Miklukho Maklaya St, Moscow 117198, Russia

[2] ND Zelinskii Inst Organ Chem, Leninsky Prosp 47, Moscow 119991, Russia

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

[4] Natl Acad Sci Belarus, Inst Phys Organ Chem, Lab Chem Heterocycl Cpds, 13 Surganov Str, Minsk 220072, BELARUS

[5] Univ Dar Es Salaam, Dar Es Salaam Univ Coll Educ, Dept Chem, POB 2329, Dar Es Salaam, Tanzania

来源：

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

关键词：

crystal structure; the 1,2-oxazole ring; hydrogen bonds; Hirshfeld surface; ISOXAZOLE;

D O I：

10.1107/S2056989022005035

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title compound, C21H22N2O3S, the 1,2-oxazole ring makes the dihedral angles of 9.16 (16) and 87.91 (17)degrees, respectively, with the toluene and phenyl rings, while they form a dihedral angle of 84.42 (15)degrees with each other. The C-S-N-C-pr and C-S-N-C-me (pr = propene, me = 3-methyl-1,2-oxazole) torsion angles are 86.8 (2) and -100.6 (3)degrees, respectively. In the crystal, molecules are linked by C-H center dot center dot center dot O hydrogen bonds, generating a threedimensional network. A Hirshfeld surface analysis was performed to investigate the contributions of the different intermolecular contacts within the supramolecular structure. The major interactions are H center dot center dot center dot H (53.6%), C center dot center dot center dot H/H center dot center dot center dot C (20.8%) and O center dot center dot center dot H/H center dot center dot center dot O (17.7%).

引用

页码：603 / +

页数：11

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