6,6'-Dimethylsulfinyl-2,2'-bipyridine: crystal structure and Hirshfeld surface analysis
PBN-AR
Instytucja
Centrum Badań Molekularnych i Makromolekularnych Polskiej Akademii Nauk
Informacje podstawowe
Główny język publikacji
en
Czasopismo
Journal of Sulfur Chemistry
ISSN
1741-5993
EISSN
1741-6000
Wydawca
TAYLOR & FRANCIS LTD
DOI
URL
Rok publikacji
2013
Numer zeszytu
6
Strony od-do
651-660
Numer tomu
34
Identyfikator DOI
Liczba arkuszy
Słowa kluczowe
en
Hirshfeld surface analysis
fingerprint plots
single-crystal X-ray analysis
alkylsulfinyl-2
2′-bipyridines
intermolecular interactions
Streszczenia
Język
en
Treść
The structure of 6,6′-dimethylsulfinyl-2,2′-bipyridine (1) has been determined by a single-crystal X-ray crystallography. This compound crystallizes in the monoclinic P21 space group with a=5.7922(12) Å, b=8.7292(5) Å, c=13.0887(16) Å, β=102.094(14)° and Z=2. The molecule of 1 consists of a 2,2′-bipyridine moiety substituted in the 6 and 6′ positions by dimethylsulfinyl groups. Atoms belonging to one of these two groups are disordered over two positions with an occupation of 0.600(9) for the major component. The molecular structure of 1 has been compared and discussed with several similar compounds. In the solid state, molecules of 1 are linked by two independent weak C‒H···O hydrogen bonds forming the infinite simple C(4) and C(5) chains, and their combined effect is a formation of the ring additionally stabilized by intermolecular π···π stacking and S\dbond O···π interactions. Moreover, Hirshfeld surface analysis has been used for comparison of the interactions in the crystal structure of 1 and in those of several of its simple analogues [i.e. 1-[6-(6-acetylpyridin-2-yl)pyridin-2-yl]ethanone, dimethyl 2,2′-bipyridine-6,6′-dicarboxylate, 6,6′-dimethyl-2,2′-bipyridyl and 2,2′-bipyridyl].
Cechy publikacji
ORIGINAL_ARTICLE
Inne
System-identifier
581746
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