Using crystallography, topology and graph set analysis for the description of the hydrogen bond network of triamterene: a rational approach to solid form selection

Abstract

This study has demonstrated the use of crystallography, topology and graph set analysis in the description and classification of the complex hydrogen bonded network of triamterene. The aim is to give a brief overview of the methodology used to discuss the crystal structure of triamterene with a view to extending the study to include the solvates, cocrystals and salts of this compound.Graphical abstractOne of the structurally significant dimers (supramolecular synthons) of triamterene identified by this study Electronic supplementary materialThe online version of this article (doi:10.1186/s13065-017-0293-1) contains supplementary material, which is available to authorized users.

Halogen Bonding in the Decoration of Secondary Coordination Sphere of Zinc(II) and Cadmium(II) Complexes: Catalytic Application in Cycloaddition Reaction of CO2 with Epoxides

“…The axial positions are occupied by two oxygen atoms (O13 and O15) from water molecules, with bond lengths of 2.165(4) and 2.138(4) Å, respectively. In both coordinated ligands in Zn2 the resonance assisted hydrogen bond (RAHB) system N1–H1···O6 and N3–H3···O11 remains intact, with N···O distances of 2.562(5) and 2.573(5) Å, respectively (Figure ), which falls in the average N···O distance range (2.538–2.661 Å) observed for other arylhydrazones of active methylene compounds. − In the crystal packing of Zn2 , the molecules are linked by O(4)–H(4)···O(2) (2.630 Å) and O(9)–H(9)···O(8) (2.720 Å) hydrogen bonds, which generate R 2 2 (24) ring motifs, resulting in a 1D supramolecular chain (Figure S1).…”

“…The crystal structure showed strong RAHB interactions between N(4)–H(4)···O(7) at distance of 2.603(6) Å. The intermolecular O(10)–H­(10A) ··· O­(3) (2.698 Å) hydrogen bond-assisted combination of two Zn3 molecules leads to a zero-dimensional R 2 2 (12) aggregate (Figure S2). Moreover, Zn3 forms a zigzag chain 1D supramolecular polymer exclusively through N(1)–H(1) ··· O­(6) (2.865 Å) and N(2)–H(2) ··· O­(7) (2.870 Å) hydrogen bonds (Figure S3).…”

“…The axial positions are occupied by two oxygen atoms (O13 and O15) from water molecules, with bond lengths of 2.165(4) and 2.138(4) Å, respectively. In both coordinated ligands in Zn2 the resonance assisted hydrogen bond ( (24) ring motifs, 60 resulting in a 1D supramolecular chain (Figure S1).…”

Framework robustness in early d-block metal complexes with tripodal polyalcohol ligands

“…In Cr 2 Et-thf, a good hydrogen bond, namely O(4)-H(4)•••Cl(1), builds a onedimensional network connecting the dimers along the [ ] direction and defining a ( ) (>d<d) motif (Figure 3a, right) [34,35]. Strong hydrogen bonds also connect the dimers to the thf (H-bond label c) and glyme (H-bond labels a and b) molecules, which alternate as pendant solvents and isolate one chain from the other.…”

Síntesis y estudio estructural de heterociclos bioactivos: triazoles vecinales y sus precursores

“…113 Esta consiste en definir un motivo (patrón que contiene un único tipo de enlace de hidrógeno) 114 que se han identificado en el empaquetamiento cristalino. 115,116 El estudio de las interacciones moleculares basados en resultados experimentales de DRX, para los fines de esta Tesis, comprende el uso de programas cristalográficos como WinGX 117 (para la determinación estructural) y su complemento PLATON 118 que da información de los parámetros geométricos usados como criterios de interacción y los códigos de simetrías asociadas a estas. 119…”