scholarly journals 2-Carboxy-4-(hydroxymethyl)pyridinium chloride hemihydrate

2007 ◽  
Vol 63 (3) ◽  
pp. o1121-o1122
Author(s):  
Lars S. von Chrzanowski ◽  
Martin Lutz ◽  
Anthony L. Spek ◽  
Aidan R. McDonald ◽  
Gerard P. M. van Klink ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Pyridinium Chloride ◽  
Compound C ◽  
Dimensional Network

The title compound, C7H8NO3 +·Cl−·0.5H2O, features inter- and intramolecular O—H...Cl and N—H...O hydrogen bonds, linking the molecules into a three-dimensional network. The water molecule is located on a crystallographic twofold rotation axis.

scholarly journals Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m53-m53 ◽  
Author(s):  
E. Govindan ◽  
Subramani Thirumurugan ◽  
Ayyakannu Sundaram Ganeshraja ◽  
Krishnamoorthy Anbalagan ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water molecule and the tetrahedral tetrachloridozincate anionviaN—H...O, O—H...Cl and N—H...Cl hydrogen bonds, forming chains along [100]. The chains are linkedviaC—H...Cl hydrogen bonds and a number of π–π interactions [centroid–centroid distances vary from 3.5594 (14) to 3.7057 (13) Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N—H...N interaction.

Aquabis(dichloroacetato-κO)bis(nicotinamide-κN)copper(II)

2007 ◽  
Vol 63 (3) ◽  
pp. m743-m745 ◽  
Author(s):  
Jan Moncol ◽  
Jaroslava Maroszová ◽  
Marcela Múdra ◽  
Tadeusz Lis ◽  
Marian Koman
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Coordination Polyhedron ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Tetragonal Pyramidal ◽  
Coordinated Water

In the title compound, [Cu(Cl2CHCO2)2(C6H6N2O)2(H2O)], both the CuII atom and the O atom of the coordinated water molecule lie on a crystallographic twofold rotation axis. The CuII atom is coordinated by O atoms from two monodentate chloroacetate anions, pyridine N atoms from two monodentate nicotinamide ligands and by the water molecule, forming a tetragonal–pyramidal coordination polyhedron. The complexes are linked by O—H...O, N—H...O and C—H...O hydrogen bonds into a three-dimensional network.

scholarly journals The crystal structure of zwitterionic 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate hemihydrate

2017 ◽  
Vol 73 (7) ◽  
pp. 927-931 ◽  
Author(s):  
C. S. Chidan Kumar ◽  
Ai Jia Sim ◽  
Weng Zhun Ng ◽  
Tze Shyang Chia ◽  
Wan-Sin Loh ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

The asymmetric unit of the title compound, C15H15N3O3·0.5H2O, comprises two 2-{[(4-iminiumyl-3-methyl-1,4-dihydropyridin-1-yl)methyl]carbamoyl}benzoate zwitterions (AandB) and a water molecule. The dihedral angles between the pyridine and phenyl rings in the zwitterions are 53.69 (10) and 73.56 (11)° inAandB, respectively. In the crystal, molecules are linked by N—H...O, O—H...O, C—H...O and C—H...π(ring) hydrogen bonds into a three-dimensional network. The crystal structure also features π–π interactions involving the centroids of the pyridine and phenyl rings [centroid–centroid distances = 3.5618 (12) Å inAand 3.8182 (14) Å inB].

scholarly journals 5-Bromophthalazine hemihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2421-o2421
Author(s):  
Mingjian Cai
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Rotation Axis ◽  
Two Dimensional ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

The title compound, C8H5BrN2·0.5H2O, is a phthalazine derivative synthesized from 3-bromobenzene-1,2-dicarbaldehyde and hydrazine. The molecule is essentially planar, the deviation from the mean plane of the phthalazine ring being 0.015 (3) Å. The O atom of the solvent water molecule is situated on a twofold rotation axis. In the crystal, O—H...N hydrogen bonds and short N...Br [2.980 (3) Å] contacts lead to the formation of a two-dimensional network parallel to (101).

scholarly journals (E)-4-(Benzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethylidene)aniline hemihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Li Hong ◽  
Zhang Xin
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzothiazole Derivative ◽  
Compound C ◽  
Dimensional Network

The title compound, C19H13N3S·0.5H2O, is a benzothiazole derivative that crystallized as a hemihydrate, the water O atom being situated on a twofold rotation axis. The dihedral angles between the central benzene ring and the benzothiazole (r.m.s. deviation = 0.012 Å) and pyridine rings are 3.57 (6) and 10.12 (8)°, respectively, indicating that the molecule is nearly planar. The conformation about the N=C bond is E. In the crystal, molecules are linked by Owater—H...Npyridine hydrogen bonds, forming dimers, which in turn are linked by C—H...O hydrogen bonds into layers parallel to the ab plane. The layers are linked by offset π–π interactions, forming a three-dimensional network [shortest intercentroid distance = 3.721 (2) Å].

4,6-Diaminopyrimidine-2(1H)-thione hemihydrate: a three-dimensional hydrogen-bonded framework

2012 ◽  
Vol 68 (10) ◽  
pp. o377-o380 ◽  
Author(s):  
Zhenfeng Zhang ◽  
Dong Xian ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Space Group ◽  
Compound C ◽  
Axis Parallel ◽  
Molecular Components

In the title compound, C4H6N4S·0.5H2O, there are two independent pyrimidinethione units, both of which lie across mirror planes in the space groupCmca. Hence, the H atoms bonded to the ring N atoms in each molecule are disordered over two symmetry-related sites, each having an occupancy of 0.5. The water molecule lies across a twofold rotation axis parallel to [010]. The molecular components of (I) are linked by seven independent hydrogen bonds, of N—H...N, N—H...S, N—H...O and O—H...S types. A combination of disordered N—H...N hydrogen bonds and ordered N—H...S hydrogen bonds links the pyrimidinethione units into a continuous tubular structure. The water molecule acts as both a double donor of hydrogen bonds and a double acceptor, forming hydrogen bonds with components of four distinct pyrimidinethione tubes, thus linking these tubes into a three-dimensional structure.

scholarly journals Bis(3-azaniumylpropyl)azanium hexachloridobismuthate(III) monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. m666-m666 ◽  
Author(s):  
Nizar Elfaleh ◽  
Hassen Chouaib ◽  
Slaheddine Kamoun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title compound, (C6H20N3)[BiCl6]·H2O, consists of a triprotonated bis(3-azaniumylpropyl)azanium cation, two halves of an octahedral [BiCl6]3−anion, each of the BiIIIatoms lying on an inversion centre, and a water molecule. In the crystal, the anions and water molecules are linked by O—H...Cl hydrogen bonds, forming chains running parallel to [0-11]. The anionic chains and the cations are further linked into a three-dimensional network by N—H...Cl and N—H...O hydrogen-bond interactions.

scholarly journals 2-Amino-3-carboxypyrazin-1-ium perchlorate bis(2-aminopyrazin-1-ium-3-carboxylate) monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. o1714-o1715
Author(s):  
Fadila Berrah ◽  
Sofiane Bouacida ◽  
Ahlem Bouhraoua ◽  
Thierry Roisnel
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Different Types

The asymmetric unit of the title compound, C5H6N3O2 +·ClO4 −·2C5H5N3O2·H2O, comprises two symmetry-independent zwitterions, one cation, one perchlorate anion and one water molecule. In the crystal, the three different types of organic entities are linked by N—H...O and N—H...N hydrogen bonds, forming undulating sheets parallel to (1-10). These sheets are in turn connected by O—H...N and O—H...O hydrogen bonds involving perchlorate anions and water molecules, forming a three-dimensional network. Intramolecular N—H...O and weak intermolecular C—H...O hydrogen bonds are also present.

scholarly journals 7′-Amino-1′H-spiro[cycloheptane-1,2′-pyrimido[4,5-d]pyrimidin]-4′(3′H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2546-o2546
Author(s):  
Shu Chen ◽  
Daxin Shi ◽  
Mingxing Liu ◽  
Jiarong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H17N5O, was obtained by cyclocondensation of 2,4-diaminopyrimidine-5-carbonitrile with cycloheptanone. The tetrahydropyrimidine ring has a distorted boat conformation and the cycloheptane ring adopts a chair conformation. In the crystal, molecules are linkedviaN—H...O and N—H...N hydrogen bonds generating a three-dimensional network.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

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