Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.77, ss.965-977, 2021 (ESCI, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 77
- Basım Tarihi: 2021
- Doi Numarası: 10.1107/s2056989021008756
- Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
- Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
- Sayfa Sayıları: ss.965-977
- Anahtar Kelimeler: crystal structure, short C-H center dot center dot center dot Cl contacts, C-H center dot center dot center dot pi interactions, van der Waals interactions, Hirshfeld surface analysis
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- Erciyes Üniversitesi Adresli: Evet
Özet
The asymmetric unit of the title compound, C16H14Cl2N2O, comprises two similar molecules, A and B, in which the dihedral angles between the two aromatic rings are 70.1 (3) and 73.2 (2)degrees, respectively. The crystal structure features short C-H center dot center dot center dot Cl and C-H center dot center dot center dot O contacts and C-H center dot center dot center dot pi and van der Waals interactions. The title compound was refined as a two-component non-merohedral twin, BASF 0.1076 (5). The Hirshfeld surface analysis and two-dimensional fingerprint plots show that H center dot center dot center dot H (38.2% for molecule A; 36.0% for molecule B), Cl center dot center dot center dot H/H center dot center dot center dot Cl (24.6% for molecule A; 26.7% for molecule B) and C center dot center dot center dot H/H center dot center dot center dot C (20.0% for molecule A; 20.2% for molecule B) interactions are the most important contributors to the crystal packing.