Open AccessThe crystal structure of spermine tetrahydrochloride
Author(s) -
Giglio E.,
Liquori A. M.,
Puliti R.,
Ripamonti A.
Publication year - 1966
Publication title -
acta crystallographica
Language(s) - English
Resource type - Journals
ISSN - 0365-110X
DOI - 10.1107/s0365110x66001567
Subject(s) - crystallography , monoclinic crystal system , hydrogen bond , zigzag , chemistry , molecule , spermine , crystal (programming language) , ion , crystal structure , geometry , mathematics , organic chemistry , enzyme , computer science , programming language
+ + + + Crystals of spermine tetrahydrochloride, NH3[CH2]3NHE[CHz]4NH2[CHz]3NH3.4C1-, are monoclinic, space group P21/c, with 2 formula units in a cell with dimensions: a = 8.60, b = 7.88, c = 15.26 .~, fl= 121 ° 30'. The structure has been determined by the interpretation of Patterson projections and application of Harker-Kasper inequalities and then refined by three-dimensional differential syntheses. The charged molecule of spermine is not zigzag planar, two of the four bonds between carbon atoms and imino nitrogen atoms being in gauche conformations. The average value of the C-C single bonds is 1"522+0"009 ~. The C-N bonds are equal within experimental error with an average value of 1"496 + 0.009/~. The two bond angles within the chain adjacent to the bonds in gauche conformation appear significantly larger than the tetrahedral values. + + The strongest interactions in the crystals occur between the NH2 and NH3 groups and the chloride ions. The distances N . . . CI as well as their directions indicate the formation of N-H • • • CI hydrogen bonds.