2-Hydroxypropane-1,3-diammonium bis(phosphonato)zincate(II) hemihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2779-m2779
Author(s):  
Andrew S. Holtby ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mirror Plane ◽  
Oh Groups ◽  
Positional Disorder ◽  
Twofold Axis ◽  
Compound C

In the title compound, (C3H12N2O)[Zn(HPO3)2]·0.5H2O, the inorganic macroanionic chain is built up from ZnO4 tetrahedra and HPO3 pseudo-pyramids sharing vertices. The organic dication shows positional disorder of its central –OH group in a 0.614 (7):0.386 (7) ratio. The components interact by way of O—H...O and N—H...O hydrogen bonds. The Zn atom lies on a crystallographic twofold axis and one C atom, the disordered O atoms of the –OH groups and the water O atom lie on a crystallographic mirror plane.

Trimethylammonium perchlorate at 97 K

2006 ◽  
Vol 62 (4) ◽  
pp. o1321-o1322
Author(s):  
Kazuma Gotoh ◽  
Rie Ishikawa ◽  
Hiroyuki Ishida
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Mirror Plane ◽  
Acta Cryst ◽  
Compound C

The crystal structure of the title compound, C3H10N+·ClO4 −, redetermined at 97 K, is isostructural with C3H10N+·BF4 − [Gotoh, Ishikawa & Ishida (2005). Acta Cryst. E61, o4016–o4017]. Both the cation and the anion lie on a mirror plane and are connected by N—H...O and C—H...O hydrogen bonds.

9-(Methoxymethyl)anthracene

2007 ◽  
Vol 63 (11) ◽  
pp. o4442-o4442 ◽  
Author(s):  
Jie Liu ◽  
Guo-Hua Wei ◽  
Guang-Ju Ping ◽  
Jian-Fang Ma
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H14O, crystallizes with two independent molecules in the asymmetric unit, one of which lies on a crystallographic mirror plane. Intermolecular C—H...O hydrogen bonds link the molecules into infinite one-dimensional chains.

scholarly journals 5-(4-Methylphenylsulfonyl)-1,3-dithiolo[4,5-c]pyrrole-2-thione

2012 ◽  
Vol 68 (4) ◽  
pp. o1046-o1046 ◽  
Author(s):  
Ning-Juan Zheng ◽  
Bing-Zhu Yin
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
Methyl Group ◽  
Compound C

The asymmetric unit of the title compound, C12H9NO2S4, contains one half-molecule with the N, two S amd four C atoms lying on a mirror plane. The molecule exhibits a V-shaped conformation, with a dihedral angle of 87.00 (7)° between the benzene and dithiolopyrrole rings. The methyl group was treated as rotationally disordered between two orientations in a 1:1 ratio. In the crystal, weak C—H...O hydrogen bonds link the molecules into chains in [010].

scholarly journals 5,6-Bis(pyridin-2-yl)-2,3-dihydropyrazine

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
Maciej Posel ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotational Symmetry ◽  
Three Dimensional ◽  
Boat Conformation ◽  
Π Interactions ◽  
Twofold Axis ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

The title compound, C14H12N4, has approximate twofold rotational symmetry. The pseudo-twofold axis bisects the C—C bonds of the dihydropyrazine ring, which has a screw–boat conformation. The two pyridine rings are inclined to the mean plane of the dihydropyrazine ring by 30.78 (11) and 39.37 (9)°, and to one another by 62.53 (10)°. The pyridine N atoms arecisto one another, with an N...N nonbonded distance of 3.101 (2) Å. In the crystal, molecules are linkedviaa pair of N—H...N hydrogen bonds, forming inversion dimers with anR22(6) ring motif. These units are linked by further N—H...H hydrogen bonds, forming layers parallel to (302). The layers are linked by C—H...π interactions, forming a three-dimensional framework.

scholarly journals The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(methoxycarbonyl)-3,6-bis(methoxymethoxy)phenyl]acetic acid

2020 ◽  
Vol 76 (7) ◽  
pp. 1101-1106
Author(s):  
Mustapha Tiouabi ◽  
Raphaël Tabacchi ◽  
Helen Stoeckli-Evans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Supramolecular Framework ◽  
Phenyl Acetic Acid ◽  
Oh Groups ◽  
Compound C

In the title compound, C14H18O8, (I), the methoxycarbonyl [–C(=O)OCH3] and the acetic acid [–CH2C(=O)OH] groups are inclined to the benzene ring by 79.24 (11) and 76.71 (13)°, respectively, and are normal to each other with a dihedral angle of 90.00 (13)°. In the crystal, molecules are linked by a pair of O—H...O hydrogen bonds forming the familiar acetic acid inversion dimer. The dimers are linked by two C—H...O hydrogen bonds and an offset π–π interaction [intercentroid distance = 3.6405 (14) Å], forming layers lying parallel to the (10\overline{1}) plane. The layers are linked by a third C—H...O hydrogen bond and a C—H...π interaction to form a supramolecular framework.

scholarly journals 1-(2-Amino-4,5-dimethylphenyl)ethanone

IUCrData ◽  
2018 ◽  
Vol 3 (2) ◽  
Author(s):  
Eric Bosch ◽  
Laura Jeffries
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Unit Cell ◽  
Mirror Plane ◽  
Orthorhombic Unit Cell ◽  
Compound C

The molecule of the title compound, C10H13NO, also referred to as 2-amino-4,5-dimethylacetophenone, lies on a crystallographic mirror plane with four molecules in the orthorhombic unit cell and features an intramolecular N—H...O hydrogen bond. In the crystal, the molecules are linked by N—H...O hydrogen bonds, forming ribbons along theaaxis that pack to form sheets lying in the (010) plane.

scholarly journals N,N,N′,N′-Tetrakis(pyridin-4-yl)methanediamine monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. o1600-o1600
Author(s):  
Jong Won Shin ◽  
Kil Sik Min
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Organic Molecules ◽  
Lattice Water Molecule ◽  
Face To Face ◽  
Π Interactions ◽  
Twofold Axis ◽  
Lattice Water ◽  
Compound C

In the title compound, C21H18N6·H2O, two 4,4′-dipyridylamine groups are linked by a methylene C atom, which sits on a twofold axis. The lattice water molecule is located slightly off a twofold axis, and is therefore disordered over two positions. In the crystal, the organic molecules and the water molecule are linked by O—H...N hydrogen bonds. The organic molecules exhibit extensive offset face-to-face π–π interactions to symmetry equivalents [centroid–centroid distances = 3.725 (3) and 4.059 (3) Å].

Bis(4-carboxypyridinium) aquapentakis(isothiocyanato-κN)iron(III) bis(pyridinium-4-carboxylate)

2007 ◽  
Vol 63 (11) ◽  
pp. m2640-m2640 ◽  
Author(s):  
Xiu-Ling Li ◽  
Zai-Sheng Lu ◽  
De-Zhong Niu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Iron Complex ◽  
Electrostatic Attraction ◽  
Mirror Plane ◽  
Compound C ◽  
Coordinated Water

In the crystal structure of the title compound, (C6H6NO2)2[Fe(NCS)5(H2O)]·2C6H5NO2, the iron complex lies on a mirror plane; the six-coordinate FeIII ion, the coordinated water molecule and three of the five isothiocyanate ligands are located on this plane. The crystal structure is triple-layered. The pyridinium-4-carboxylate (ina) molecules and the protonated 4-carboxypyridinium (inaH+) cations interact with each other through N—H...O and O—H...O hydrogen bonds, leading to the formation of a layer perpendicular to the b axis. Pairs of these layers sandwich another layer of {[Fe(NCS)5(H2O)]2−} n anions with which they interact via electrostatic attraction and O—H...O hydrogen bonds, resulting in sheets of triple layers also perpendicular to the b axis.

scholarly journals 1,3-Bis(2,6-diisopropylphenyl)-1H-imidazol-3-ium bromide dichloromethane disolvate

2012 ◽  
Vol 68 (6) ◽  
pp. o1845-o1845 ◽  
Author(s):  
Matthias Berger ◽  
Norbert Auner ◽  
Tanja Sinke ◽  
Michael Bolte
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mirror Plane ◽  
Compound C ◽  
Bromide Ions ◽  
Solvent Molecules

In the title compound, C27H37N2 +·Br−·2CH2Cl2, both the cation and the anion are located on a crystallographic mirror plane. Both of the dichloromethane solvent molecules show a disorder across a mirror plane over two equally occupied positions. In the crystal, the cations are connnected to the bromide ions via C—H...Br hydrogen bonds.

scholarly journals Ethyl 1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Yassir Filali Baba ◽  
Youssef Kandri Rodi ◽  
Sonia Hayani ◽  
Jerry P. Jasinski ◽  
Manpreet Kaur ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Mirror Plane ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

The title compound, C13H13NO3, lies on a mirror plane with an intramolecular C—H...O hydrogen bond enclosing anS(6) ring. In the crystal, weak C—H...O hydrogen bonds link the molecules into zigzag chains along thea-axis direction and π–π interactions, with a centroid-to-centroid distance of 3.7003 (2) Å, involving the pyridine and benzene rings of the oxoquinoline ring system, pack the molecules into parallel layers.

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