The title compound, CHClN, crystallizes with one mol-ecule in the asymmetric unit. In the crystal, the mol-ecular entities are assembled through strong N-H⋯N hydrogen bonding, forming supra-molecular chains extending along the axis direction. These chains are inter-connected by offset π-π stacking inter-actions and consolidated by halogen-π inter-actions.
View Article and Find Full Text PDFTwo salts of 1,9-di-hydro-purin-6-one (hypoxanthine), namely, 6-oxo-1,9-di-hydro-purin-7-ium 5-sulfosalicylate dihydrate, CHNO·CHOS·2HO, (), and 6-oxo-1,9-di-hydro-purin-7-ium perchlorate monohydrate, CHNO·ClO ·HO, (), have been synthesized and characterized using single-crystal X-ray diffraction and Hirshfeld analysis. In both salts, the hypoxanthine mol-ecule is protonated at the N7 position of the purine ring. In salt (), the cation and anion are connected through N-H⋯O inter-actions.
View Article and Find Full Text PDFActa Crystallogr C Struct Chem
August 2022
Two new crystalline solids, namely, 5-aminotetrazole-3,5-dihydroxybenzoic acid-water (1/4/6), CHN·4CHO·6HO (I), and 5-aminotetrazolium 3,5-dinitrosalicylate, CHN·CHNO (II), have been synthesized and characterized by single-crystal X-ray diffraction and Hirshfeld surface analysis. The crystal packing arrangements of I and II are governed by N-H..
View Article and Find Full Text PDFThe asymmetric unit of the title coordination polymer [Zn(CHNO)(CHN)] , consists of one Zn cation, one bidentate 1-indole-5-carboxyl-ate (I5C) anion and half of a 4,4'-azobi-pyridine (Abpy) neutral ligand. In the coordination polyhedron, the Zn ion adopts a distorted octa-hedral geometry. The coordination polymer is stabilized by a combination of N-H⋯O and C-H⋯π inter-actions, which leads to the formation of wave-like two-dimensional coordination polymeric layers.
View Article and Find Full Text PDFIn the title compound, CHClNO, the dihedral angle between the aromatic rings is 1.78 (4)° and an intra-molecular O-H⋯N hydrogen bond closes an (6) ring. In the crystal, C-H⋯O and C-H⋯N hydrogen bonds connect the mol-ecules into [001] chains.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
May 2015
Acta Crystallogr B Struct Sci Cryst Eng Mater
April 2015
Three salts, namely 2-amino-4,6-dimethylpyrimidin-1-ium thiobarbiturate trihydrate (I), 2-amino-4,6-dimethoxypyrimidin-1-ium thiobarbiturate dihydrate (II) and 2,4-diamino-5-(3',4',5'-trimethoxybenzyl)pyrimidin-1-ium thiobarbiturate (III), were synthesized and characterized by IR and X-ray diffraction techniques. The primary interaction between the acid and base happens via N-H..
View Article and Find Full Text PDFActa Crystallogr Sect E Struct Rep Online
February 2014
In the crystal structure of the title zwitterion, C5H11N5S, mol-ecules are linked via N-H⋯N hydrogen bonds, forming zigzag chains propagating along [010]. The chains are linked by C-H⋯S hydrogen bonds, forming two dimensional networks lying parallel to (001).
View Article and Find Full Text PDFActa Crystallogr Sect E Struct Rep Online
October 2013
In the crystal of the title compound, C6H9N3·C6H8O2, the 2-amino-4,6-di-methyl-pyrimidine and sorbic acid mol-ecules are linked through N-H⋯O and O-H⋯N hydrogen bonds, which generate a cyclic bimolecular heterosynthon with an R 2 (2)(8) graph-set motif. Further, two inversion-related pyrimidine mol-ecules are base-paired via a pair of N-H⋯N hydrogen bonds, forming a cyclic bimolecular homosynthon with a graph-set of R 2 (2)(8). A discrete hetero tetra-meric supra-molecular unit along the b axis is formed by the fusion of two heterosynthons and one homosynthon.
View Article and Find Full Text PDFActa Crystallogr Sect E Struct Rep Online
October 2011
Acta Crystallogr Sect E Struct Rep Online
October 2011
In the crystal structure of the title salt, C(4)H(8)N(5) (+)·BF(4) (-), centrosymmetrically related cations undergo base pairing via a pair of N-H⋯N hydrogen bonds, forming an R(2) (2)(8) ring motif. The cations and anions inter-act via N-H⋯F hydrogen bonds, generating supra-molecular layers parallel to ([Formula: see text]20), which are in turn linked into a three-dimensional network, forming rings of R(6) (6)(24) graph-set motif. The crystal structure is further stabilized by π-π stacking inter-actions [centroid-centroid distance = 3.
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