scholarly journals Crystal structure of 4-carbamoylpyridinium chloride

2016 ◽  
Vol 72 (4) ◽  
pp. 436-439 ◽  
Author(s):  
Simon M. Fellows ◽  
Timothy J. Prior
Keyword(s):  
Hydrogen Bonding ◽  
Dilute Solution ◽  
Asymmetric Unit ◽  
Monoclinic Symmetry ◽  
Hydrochloride Salt ◽  
Hydrogen Bonding Interactions ◽  
Linear Chains ◽  
Symmetry Space ◽  
Chloride Interaction ◽  
Symmetry Space Group

The hydrochloride salt of isonicotinamide, C6H7N2O+·Cl−, has been synthesized from a dilute solution of hydrochloric acid in acetonitrile. The compound displays monoclinic symmetry (space groupC2/c) at 150 K, similar to the related hydrochloride salt of nicotinamide. The asymmetric unit contains one protonated isonicotinamide molecule and a chloride anion. An array of hydrogen-bonding interactions, including a peculiar bifurcated pyridinium–chloride interaction, results in linear chains running almost perpendicularly in the [150] and [1-50] directions within the structure. A description of the hydrogen-bonding network and comparison with similar compounds are presented.

Charge-assisted hydrogen bonding in salts of 2-amino-1H-benzimidazole with 3-phenylpropynoic acid and oct-2-ynoic acid

2015 ◽  
Vol 71 (2) ◽  
pp. 146-151 ◽  
Author(s):  
Charmaine Arderne ◽  
Denise K. Olivier ◽  
Derek T. Ndinteh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Computational Chemistry ◽  
Ion Pairs ◽  
Monoclinic Symmetry ◽  
Space Group ◽  
Symmetry Space ◽  
Graph Sets ◽  
Symmetry Space Group ◽  
Hydrogen Bonded

The 100 K structures of two salts, namely 2-amino-1H-benzimidazolium 3-phenylpropynoate, C7H8N3+·C9H5O2−, (I), and 2-amino-1H-benzimidazolium oct-2-ynoate, C7H8N3+·C8H11O2−, (II), both have monoclinic symmetry (space groupP21/c) and display N—H...O hydrogen bonding. Both structures show packing with corrugated sheets of hydrogen-bonded molecules lying parallel to the [001] direction. Two hydrogen-bonded ring motifs can be identified and described with graph setsR22(8) andR44(16), respectively, in both (I) and (II). Computational chemistry calculations performed on both compounds show that the hydrogen-bonded ion pairs are more energetically favourable in the crystal structure than their hydrogen–bonded neutral molecule counterparts.

Crystal structure of anhydrous δ-D-mannitol

2003 ◽  
Vol 18 (3) ◽  
pp. 214-218 ◽  
Author(s):  
C. E. Botez ◽  
P. W. Stephens ◽  
C. Nunes ◽  
R. Suryanarayanan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Simulated Annealing ◽  
High Resolution ◽  
Rietveld Analysis ◽  
Powder Diffraction Data ◽  
Monoclinic Symmetry ◽  
X Ray ◽  
Symmetry Space ◽  
Symmetry Space Group

The crystal structure of anhydrous δ-D-mannitol (C6H14O6) was solved from high-resolution synchrotron X-ray powder diffraction data collected on a mixture containing 20% and 80% w/w of β- and δ-D-mannitol, respectively. The direct space simulated annealing program PSSP, and Rietveld analysis employing GSAS were used to determine and refine the structure. The polymorph has monoclinic symmetry, space group P21 with a=5.089 41(5) Å, b=18.2504(2) Å, c=4.917 02(5) Å, and β=118.303(2)°. There is one molecule in the irreducible volume of the unit cell. The pattern of hydrogen bonding is significantly different than the previously known α and β forms.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

Synthese und Röntgenstrukturanalyse von KCuGd2Mo4O16 und KCuTb2Mo4O16/Synthesis and X-Ray Analysis of KCuGd2Mo4O16 and KCuTb2Mo4O16

1995 ◽  
Vol 50 (12) ◽  
pp. 1794-1798 ◽  
Author(s):  
Hk. Müller-Buschbaum ◽  
St. Gallinat
Keyword(s):  
Lattice Energy ◽  
Rare Earth Ions ◽  
Monoclinic Symmetry ◽  
X Ray ◽  
Coulomb Term ◽  
Relationship Of ◽  
The Relationship ◽  
Symmetry Space ◽  
Oxidation State Of Copper ◽  
Symmetry Space Group

Single crystals of the so far unknown compounds KCuGd2Mo4O16 (I) and KCuTb2Mo4O16 (II) have been prepared by flux technique. The compounds crystallize with monoclinic symmetry. space group C62h-C2 /c with (I): a = 5.278(2), b = 12.666(5), c = 19.604(14) Å; β = 92.76(6)°; (II): a = 5.259(13), b = 12.616(3), c = 19.556(9) Å, β = 92.93(4)°, Z = 4. Molybdenum exhibits tetrahedral coordination. The surroundings of copper can be described by distorted tetrahedra, capped by two more distant oxygen atoms, and the rare earth ions show a square antiprism. Potassium is inside an irregular polyhedron. The relationship of the structures of (I) and (II) is discussed with respect to the KLnMo2O8 type compounds. Coulomb term calculations of the lattice energy indicate an oxidation state of copper higher than CuI.

Synthese und Struktureines Strontium-Vanadyl-Phosphats: Sr2(VO)(PO4)2 / Synthesis and Structure of a Strontium Vanadyl Phosphate: Sr2(VO)(PO4)2

1996 ◽  
Vol 51 (7) ◽  
pp. 929-933 ◽  
Author(s):  
C. Wadewitz ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Solid State ◽  
Solid State Reactions ◽  
Vanadyl Phosphate ◽  
Monoclinic Symmetry ◽  
X Ray ◽  
Vanadyl Group ◽  
Dark Green ◽  
Symmetry Space ◽  
Oxygen Distance ◽  
Symmetry Space Group

Dark green single crystals of Sr2(VO)P2O8 have been prepared by solid state reactions in closed quartz tubes. X-ray investigations led to monoclinic symmetry, space group C2h6-I2/a, a = 6.744(4), b = 15.866(4), c = 7.032(2) Å, β = 115.41(2), Z = 4. Sr2(VO)P2O8 is isotypic to Sr2(VO)V2O8 and shows V4+ in split positions. The split positions are in non-centric octahedral coordination forming a short vanadium to oxygen distance typical for the vanadyl group. The crystal chemistry of the monovanadyl orthophate Sr2(VO)P2O8 is discussed considering related divanadyl phosphates.

Über das Oxomolybdat AgKCu3Mo4O16 mit Silber in siebenfacher Koordination / About the Oxomolybdate AgKCu3Mo4O16 with Silver in Seven-Fold Coordination

1995 ◽  
Vol 50 (2) ◽  
pp. 252-256 ◽  
Author(s):  
H. Szillat ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Monoclinic Symmetry ◽  
Space Group ◽  
X Ray ◽  
Silver Copper ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of AgKCu3Mo4O16 have been prepared by crystallization from melts and investigated by X-ray diffractometer techniques. This compound crystallizes with monoclinic symmetry, space group C2h5 - P21/c, a = 5.056(1), b = 14.546(4), c = 19.858(9) Å, β = 86.64(5)°, Z = 4. The crystal structure of AgKCu3Mo4O16 is closely related to K2Cu3Mo4O16 showing ribbons of edge-sharing CuO6 and AgO7 polyhedra. The ribbons are linked by tetrahedrally coordinated molybdenum and K2O10 groups. Another kind of MoO4 tetrahedra occupies the cavities inside the ribbons. The crystal structure and the coordination of silver, copper, potassium and molybdenum by oxygen are discussed with respect to K2Cu3Mo4O16.

Synthese and Krystalchemie der β-Form eines gemischten Zinkorthoarsenats: Zn2,28Mg0,72(AsO4)2 / Synthesis and Crystal Chemistry of the β-Form of a Mixed Zinc Orthoarsenate: Zn2.28Mg0.72(AsO4)2

1996 ◽  
Vol 51 (4) ◽  
pp. 469-472 ◽  
Author(s):  
D. Frerichs ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Single Crystals ◽  
Crystal Chemistry ◽  
Lattice Parameters ◽  
Monoclinic Symmetry ◽  
Space Group ◽  
Laser Techniques ◽  
Symmetry Space ◽  
Symmetry Space Group

Abstract Single crystals of Zn2.28Mg0.72(AsO4)2 have been prepared by CO2 LASER techniques. The compound crystallizes with monoclinic symmetry space group C52h-P21/n and the lattice parameters a = 5.292(2), b = 8.450(3), c = 7.737(3) Å , β = 96.33(3)°, Z = 2. Zn2.28Mg0.72(AsO4)2 is isotypic to β-Zn3(AsO4)2. The formation of the β-Zn3(AsO4)2 struc­ture instead of other possible orthoarsenates is discussed.

4,4′-Dibenzyl-5,5′-(pyridine-2,6-diyl)bis(3,4-dihydro-2H-1,2,4-triazole-3-thione)

2006 ◽  
Vol 62 (5) ◽  
pp. o1822-o1823
Author(s):  
Sibel Demir ◽  
Muharrem Dinçer ◽  
Ahmet Çetin ◽  
Osman Dayan ◽  
Ahmet Cansız
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Tautomeric Form ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Independent Molecules

The title compound, C23H19N7S2, adopts the ketoamine tautomeric form and displays C—H...N hydrogen-bonding interactions. There are two independent molecules in the asymmetric unit.

The self-assembling zwitterionic form ofL-phenylalanine at neutral pH

2014 ◽  
Vol 70 (3) ◽  
pp. 326-331 ◽  
Author(s):  
Estelle Mossou ◽  
Susana C. M. Teixeira ◽  
Edward P. Mitchell ◽  
Sax A. Mason ◽  
Lihi Adler-Abramovich ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Hydrogen Bonding ◽  
The Self ◽  
Monoclinic Space Group ◽  
X Rays ◽  
Asymmetric Unit ◽  
Zwitterionic Form ◽  
Self Assembling ◽  
Hydrogen Bonding Interactions ◽  
Resolution Structure

The title zwitterion (2S)-2-azaniumyl-1-hydroxy-3-phenylpropan-1-olate, C9H11NO2, also known as L-phenylalanine, was characterized using synchrotron X-rays. It crystallized in the monoclinic space groupP21with four molecules in the asymmetric unit. The 0.62 Å resolution structure is assumed to be closely related to the fibrillar form of phenylalanine, as observed by electron microscopy and electron diffraction. The structure exists in a zwitterionic form in which π–π stacking and hydrogen-bonding interactions are believed to form the basis of the self-assembling properties.

Ein Beitrag zur Kristallchemie von Verbindungen mit Johillerit-Struktur: KCo3Cu(As2,58V0,42)O12 / On the Crystal Chemistry of Compounds with Johillerite Structure: KCo3Cu(As2,58V0,42)O12

1994 ◽  
Vol 49 (11) ◽  
pp. 1463-1466 ◽  
Author(s):  
D. Frerichs ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Solid State ◽  
Melting Point ◽  
Single Crystals ◽  
Crystal Chemistry ◽  
Structure Type ◽  
Solid State Reactions ◽  
Tetrahedral Coordination ◽  
Monoclinic Symmetry ◽  
Symmetry Space ◽  
Symmetry Space Group

Single crystals of KCo3Cu(As2.58V0.42)O12 were prepared by solid state reactions below the melting point of the reaction mixture (K2CO3, CuO, COC2O4, V2O5 and 3 As2O5 · 5H2O). It crystallizes with monoclinic symmetry, space group C62h-C2/c, a = 12.207, b = 12.730, c = 6.811 Å, β = 113.69°, Z = 4. The structure type is characterized by isolated twisted-square CuO4-polygons, CoO6-octahedra and a special 4+4-coordination of the potassium ion. As5+ and V5+ are in tetrahedral coordination with a partly statistical distribution of these ions.

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