Abstract: A new polymorph of the β-modification of N,N′-di(pyridin-2-yl)formamidine that is more thermodynamically stable than the known α-modification is obtained. The crystal of β-modification contains hydrogen bonded molecular dimers with a skewed geometry. Therefore, the space group is not centrosymmetric – P42. This geometry is a result of the molecular E-syn,syn conformation in crystals of the β-phase, which differs from the E-anti,syn conformation in the α-phase. The number of crystallographically non-equivalent molecules (8) in the β-modification is unusually large for organic compounds. The structure of the packing is analyzed, and it is shown that the centers of dimers follow the sites of a distorted body-centered cubic pseudo-lattice (Ат ≈ 10 Å, αт = 90°) with a 16 times decreased unit cell volume. Reasons for symmetry violations causing modulations are considered.

Cite: Sukhikh T.S. , Kolybalov D.S. , Bashirov D.A. , Gromilov S.A. , Konchenko S.N.
Conformational Dualism of Dipyridyl-Substituted Formamidine
Journal of Structural Chemistry. 2021. V.62. N6. P.966 - 973. DOI: 10.1134/S0022476621060160 WOS Scopus ANCAN OpenAlex

Original: Сухих Т.С. , Колыбалов Д.С. , Баширов Д.А. , Громилов С.А. , Конченко С.Н.
Конформационный дуализм дипиридилзамещеного формамидина
Журнал структурной химии. 2021. Т.62. №6. С.1035-1042. DOI: 10.26902/jsc_id74448 OpenAlex

Dates:

Submitted:	Jan 14, 2021
Accepted:	Feb 1, 2021
Published print:	Jun 1, 2021
Published online:	Jun 25, 2021

Identifiers:

Web of science:	WOS:000667904000016
Scopus:	2-s2.0-85111124117
Chemical Abstracts:	2021:1416697
Chemical Abstracts (print):	177:89005
OpenAlex:	W3175237132

Citing: Пока нет цитирований

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