TY - JOUR

T1 - L-Cysteine halogenides

T2 - A new family of salts with an l-cysteine"l-cysteinium dimeric cation

AU - Ghazaryan, V. V.

AU - Minkov, V. S.

AU - Boldyreva, E. V.

AU - Petrosyan, A. M.

PY - 2016/10/5

Y1 - 2016/10/5

N2 - Two l-cysteinium-halogenides with (l-cysteine···l-cysteinium) dimeric cations have been obtained, (l-Cys"l-Cys+)·Cl-, and (l-Cys"l-Cys+)·Br-. Both salts crystallize in monoclinic space group P21. Although these salts have the same dimeric cations and isotypical halogen anions, crystal packing is different. The main difference between the two salts rests in the conformation of (l-Cys"l-Cys+) dimeric cation, which also differs from that of the dimeric cation in the previously reported compound l-Cys+(l-Cys"l-Cys+)·F-·(F-"HF). The dimeric cation is formed by a very short O-H"O hydrogen bond with d(O···O) of 2.449(2) Å and 2.435(11) Å in the chloride and bromide, respectively. In addition to crystal structure analysis, Infrared and Raman spectra have been registered and discussed with a particular focus on intermolecular interactions. The l-Cys+·Br-·H2O salt with a simple l-cysteinium cation was also obtained and the crystal structure solved. It resembles its chloride analogue, l-Cys+·Cl-·H2O.

AB - Two l-cysteinium-halogenides with (l-cysteine···l-cysteinium) dimeric cations have been obtained, (l-Cys"l-Cys+)·Cl-, and (l-Cys"l-Cys+)·Br-. Both salts crystallize in monoclinic space group P21. Although these salts have the same dimeric cations and isotypical halogen anions, crystal packing is different. The main difference between the two salts rests in the conformation of (l-Cys"l-Cys+) dimeric cation, which also differs from that of the dimeric cation in the previously reported compound l-Cys+(l-Cys"l-Cys+)·F-·(F-"HF). The dimeric cation is formed by a very short O-H"O hydrogen bond with d(O···O) of 2.449(2) Å and 2.435(11) Å in the chloride and bromide, respectively. In addition to crystal structure analysis, Infrared and Raman spectra have been registered and discussed with a particular focus on intermolecular interactions. The l-Cys+·Br-·H2O salt with a simple l-cysteinium cation was also obtained and the crystal structure solved. It resembles its chloride analogue, l-Cys+·Cl-·H2O.

KW - Crystal structure

KW - Dimeric cation

KW - Halogenides

KW - L-cysteine

KW - Short hydrogen bond

KW - Vibrational spectra

UR - http://www.scopus.com/inward/record.url?scp=84971539081&partnerID=8YFLogxK

U2 - 10.1016/j.molstruc.2016.05.049

DO - 10.1016/j.molstruc.2016.05.049

M3 - Article

AN - SCOPUS:84971539081

VL - 1121

SP - 60

EP - 69

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

ER -