Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine

Dong Cheng; Xiang Zhen Meng; Fuyu Tian; Dong Yan; Xiaofei Wang; Xueli Qian; Junnan Wang; S. Parkin

doi:10.1107/S2056989022007812

Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine

Dong Cheng, Xiang Zhen Meng, Fuyu Tian, Dong Yan, Xiaofei Wang, Xueli Qian, Junnan Wang, S. Parkin

Chemistry

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The title compound, C24H19NO, was obtained via the reaction of (1E,2E)-3-(3-methoxyphenyl)-1-phenylprop-2-en-1-one with ethyl 2-oxopropanoate, using NH4I as a catalyst. The compound crystallizes in the monoclinic space group I2/a. In the molecule, the four rings are not in the same plane, the pyridine ring being inclined to the benzene rings by 17.26 (6), 56.16 (3) and 24.50 (6)°. In the crystal, molecules are linked by C-Hπ interactions into a three-dimensional network. To further analyse the intermolecular interactions, a Hirshfeld surface analysis was performed. Hirshfeld surface analysis indicates that the most abundant contributions to the crystal packing are from HH (50.4%), CH/HC (37.9%) and OH/HO (5.1%) interactions.

Original language	English
Pages (from-to)	932-935
Number of pages	4
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	78
Issue number	Pt 9
DOIs	https://doi.org/10.1107/S2056989022007812
State	Published - Sep 1 2022

Bibliographical note

Publisher Copyright:
© 2022 Cheng et al.

Keywords

C-Hπ interactions
Hirshfeld surface
crystal structure
van der Waals interactions

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1107/S2056989022007812

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title = "Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine",

abstract = "The title compound, C24H19NO, was obtained via the reaction of (1E,2E)-3-(3-methoxyphenyl)-1-phenylprop-2-en-1-one with ethyl 2-oxopropanoate, using NH4I as a catalyst. The compound crystallizes in the monoclinic space group I2/a. In the molecule, the four rings are not in the same plane, the pyridine ring being inclined to the benzene rings by 17.26 (6), 56.16 (3) and 24.50 (6)°. In the crystal, molecules are linked by C-Hπ interactions into a three-dimensional network. To further analyse the intermolecular interactions, a Hirshfeld surface analysis was performed. Hirshfeld surface analysis indicates that the most abundant contributions to the crystal packing are from HH (50.4%), CH/HC (37.9%) and OH/HO (5.1%) interactions.",

keywords = "C-Hπ interactions, Hirshfeld surface, crystal structure, van der Waals interactions",

author = "Dong Cheng and Meng, {Xiang Zhen} and Fuyu Tian and Dong Yan and Xiaofei Wang and Xueli Qian and Junnan Wang and S. Parkin",

note = "Publisher Copyright: {\textcopyright} 2022 Cheng et al.",

year = "2022",

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day = "1",

doi = "10.1107/S2056989022007812",

language = "English",

volume = "78",

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T1 - Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine

AU - Cheng, Dong

AU - Meng, Xiang Zhen

AU - Tian, Fuyu

AU - Yan, Dong

AU - Wang, Xiaofei

AU - Qian, Xueli

AU - Wang, Junnan

AU - Parkin, S.

PY - 2022/9/1

Y1 - 2022/9/1

N2 - The title compound, C24H19NO, was obtained via the reaction of (1E,2E)-3-(3-methoxyphenyl)-1-phenylprop-2-en-1-one with ethyl 2-oxopropanoate, using NH4I as a catalyst. The compound crystallizes in the monoclinic space group I2/a. In the molecule, the four rings are not in the same plane, the pyridine ring being inclined to the benzene rings by 17.26 (6), 56.16 (3) and 24.50 (6)°. In the crystal, molecules are linked by C-Hπ interactions into a three-dimensional network. To further analyse the intermolecular interactions, a Hirshfeld surface analysis was performed. Hirshfeld surface analysis indicates that the most abundant contributions to the crystal packing are from HH (50.4%), CH/HC (37.9%) and OH/HO (5.1%) interactions.

AB - The title compound, C24H19NO, was obtained via the reaction of (1E,2E)-3-(3-methoxyphenyl)-1-phenylprop-2-en-1-one with ethyl 2-oxopropanoate, using NH4I as a catalyst. The compound crystallizes in the monoclinic space group I2/a. In the molecule, the four rings are not in the same plane, the pyridine ring being inclined to the benzene rings by 17.26 (6), 56.16 (3) and 24.50 (6)°. In the crystal, molecules are linked by C-Hπ interactions into a three-dimensional network. To further analyse the intermolecular interactions, a Hirshfeld surface analysis was performed. Hirshfeld surface analysis indicates that the most abundant contributions to the crystal packing are from HH (50.4%), CH/HC (37.9%) and OH/HO (5.1%) interactions.

KW - C-Hπ interactions

KW - Hirshfeld surface

KW - crystal structure

KW - van der Waals interactions

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U2 - 10.1107/S2056989022007812

DO - 10.1107/S2056989022007812

M3 - Article

AN - SCOPUS:85139267024

SN - 2056-9890

VL - 78

SP - 932

EP - 935

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

IS - Pt 9

ER -

Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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