Title of article :
Crystal structure of N,N′-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diammonium dichloride dihydrate
Author/Authors :
Moon, Suk-Hee Department of Food and Nutrition - Kyungnam College of Information and Technology, Republic of Korea , Kangb, Donghyun Department of Science Education Kyungnam University, Republic of Korea , Parkc, Ki-Min Research institute of Natural Science - Gyeongsang National University, Republic of Korea
Abstract :
Treatment of N,N-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diamine with hydrochloric acid in ethanol led to the formation of the title salt, C18H26N42+·2Cl−·2H2O, which lies about a crystallographic inversion center at the center of the cyclohexyl ring. The asymmetric unit therefore comprises one half of the N,N-bis(pyridin-4-ylmethyl)cyclohexane-1,4-diammonium dication, a chloride anion, and a solvent water molecule. In the dication, the two trans-(4-pyridine)–CH2–NH2– moieties occupy equatorial sites at the 1- and 4-positions of the central cyclohexyl ring, which is in a chair conformation. The terminal pyridine ring is tilted by 27.98 (5)° with respect to the mean plane of the central cyclohexyl moiety (r.m.s. deviation = 0.2379 Å). In the crystal, dications, anions, and solvent water molecules are connected via N/C/O—H⋯Cl and N—H⋯O hydrogen bonds together with C—H⋯π interactions, forming a three-dimensional network.
Keywords :
crystal structure , condensation reaction , hydrogen bonding , dipyridyl salt , diprotonated structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications