Crystal structure and Hirshfeld surface analysis of (2 E)-3-(2,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one
Yükleniyor...
Tarih
2018
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
Attribution-NonCommercial-ShareAlike 4.0 International
info:eu-repo/semantics/openAccess
info:eu-repo/semantics/openAccess
Özet
The molecular structure of the title compound, C13H6Cl4OS, consists of a 2,5-dichlorothiophene ring and a 2,4-dichlorophenyl ring linked via a prop-2-en-1-one spacer. The dihedral angle between the 2,5-dichlorothiophene ring and the 2,4-dichlorophenyl ring is 12.24?(15)°. The molecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. The molecular conformation is stabilized by intramolecular C—H...Cl contacts, producing S(6) and S(5) ring motifs. In the crystal, the molecules are linked along the a-axis direction through face-to-face ?-stacking between the thiophene rings and the benzene rings of the molecules in zigzag sheets lying parallel to the bc plane along the c axis. The intermolecular interactions in the crystal packing were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are Cl...H/ H...Cl (20.8%), followed by Cl...Cl (18.7%), C...C (11.9%), Cl...S/S...Cl (10.9%), H...H (10.1%), C...H/H...C (9.3%) and O...H/H...O (7.6%)
Açıklama
TARAMAPUBMED
TARAMASCOPUS
TARAMAWOS
TARAMASCOPUS
TARAMAWOS
Anahtar Kelimeler
Crystal structure, 2,5-dichlorothiophene ring, 2,4-dichlorophenyl ring, E configuration, Hirshfeld surface analysis
Kaynak
Acta Crystallographica Section E: Crystallographic Communications
WoS Q Değeri
N/A
Scopus Q Değeri
Q3
Cilt
74
Sayı
9
Künye
Murthy, T. N. S., ATİOĞLU, Z., AKKURT, M., Chidan Kumar, C. S., Veeraiah, M. K., Quah, C. K., & Siddaraju, B. P. (2018). Crystal structure and Hirshfeld surface analysis of 2E 3 2 4 di chloro phen yl 1 2 5 di chloro thio phen 3 yl prop 2 en 1 one. Acta Crystallographica Section E, 74(9), 1201–1205.
