2-Amino-4-(piperidin-1-yl)-11H-pyrimido[4,5-b][1,5]benzodiazepin-6-ium chloride monohydrate and 2-amino-4-[methyl(2-methylphenyl)amino]-11H-pyrimido[4,5-b][1,5]benzodiazepin-6-ium chloride-benzene-1,2-diamine (1/1): complex sheets generated by multiple hydrogen bonds.
In each of 2-amino-4-(piperidin-1-yl)-11H-pyrimido[4,5-b][1,5]benzodiazepin-6-ium chloride monohydrate, C(16)H(19)N(6)(+).Cl(-).H(2)O, (I), and 2-amino-4-[methyl(2-methylphenyl)amino]-11H-pyrimido[4,5-b][1,5]benzodiazepin-6-ium chloride-benzene-1,2-diamine (1/1), C(19)H(19)N(6)(+).Cl(-).C(6)H(8)N(2), (II), the seven-membered ring in the cation adopts a boat conformation. The pyrimidine ring in (II) adopts a twist-boat conformation, but the corresponding ring in (I) is essentially planar. The amino groups of the benzene-1,2-diamine component of (II) are both pyramidal. The independent components of (I) are linked into complex sheets by a combination of N-H...O, N-H...N, N-H...Cl and O-H...Cl hydrogen bonds. In the crystal structure of (II), one N-H...N hydrogen bond and six independent N-H...Cl hydrogen bonds combine to link the components into complex sheets.
Quiroga
Jairo
J
Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.
Trilleras
Jorge
J
Cobo
Justo
J
Glidewell
Christopher
C
D001569:Benzodiazepines / Q000737:chemistry*; D018360:Crystallography, X-Ray; D003959:Diamines / Q000737:chemistry*; D006860:Hydrogen Bonding; D015394:Molecular Structure; D011743:Pyrimidines / Q000737:chemistry*
C549890:2-amino-4-(methyl(2-methylphenyl)amino)-11H-pyrimido(4,5-b)(1,5)benzodiazepin-6-ium; C549889:2-amino-4-(piperidin-1-yl)-11H-pyrimido(4,5-b)(1,5)benzodiazepin-6-ium; D003959:Diamines; D011743:Pyrimidines; D001569:Benzodiazepines