scholarly journals Crystal structure of 1-butyl-3-{2-[(indan-5-yl)amino]-2-oxoethyl}-1H-imidazol-3-ium chloride

2018 ◽  
Vol 74 (11) ◽  
pp. 1665-1668
Author(s):  
Vidya Zende ◽  
Tejpalsingh Ramsingh Girase ◽  
Nicolas Chrysochos ◽  
Anant Ramakant Kapdi ◽  
Carola Schulzke
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Carbon Atom ◽  
Aromatic Ring ◽  
Methylene Carbon ◽  
Hydrogen Bonding Interactions ◽  
Methylene Carbon Atom ◽  
Molecular Salt

In the cation of the title molecular salt, C18H24N3O+·Cl−, an intramolecular C—H...O hydrogen bond stabilizes the almost coplanar orientation of the aromatic ring of the indane unit and the amide plane. In the crystal, the packing is dominated by intermolecular C—H...Cl hydrogen-bonding interactions that result in the formation of slab-like structures propagating along [010]. The slabs are linked by weak C—H...O interactions, forming layers lying parallel to (100). The methylene carbon atom of the indanyl substituent is disordered over two positions with a refined occupancy ratio of 0.84 (2):0.16 (2). The crystal studied was refined as a twin with matrix [1 0 0.9, 0 \overline{1} 0, 0 0 \overline{1}]; the resulting BASF value is 0.30.

scholarly journals Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate

2016 ◽  
Vol 72 (6) ◽  
pp. 861-863 ◽  
Author(s):  
Ping Su ◽  
Xue-gang Song ◽  
Ren-qiang Sun ◽  
Xing-man Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Organic Salt ◽  
Asymmetric Unit ◽  
Molecular Salt ◽  
Hydrogen Bonded

The asymmetric unit of the title organic salt [systematic name: 1H-pyrazol-2-ium 2,4,6-trinitrophenolate–1H-pyrazole (1/1)], H(C3H4N2)2+·C6H2N3O7−, consists of one picrate anion and one hydrogen-bonded dimer of a pyrazolium monocation. The H atom involved in the dimer N—H...N hydrogen bond is disordered over both symmetry-unique pyrazole molecules with occupancies of 0.52 (5) and 0.48 (5). In the crystal, the component ions are linked into chains along [100] by two different bifurcated N—H...(O,O) hydrogen bonds. In addition, weak C—H...O hydrogen bonds link inversion-related chains, forming columns along [100].

scholarly journals Crystal structure of 2,5-dimethylanilinium hydrogen maleate

2014 ◽  
Vol 70 (11) ◽  
pp. o1183-o1184 ◽  
Author(s):  
Maha Mathlouthi ◽  
Daron E. Janzen ◽  
Mohamed Rzaigui ◽  
Wajda Smirani Sta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Ammonium Group ◽  
Hydrogen Bonding Interactions ◽  
Graph Set

The crystal structure of the title salt, C8H12N+·C4H3O4−, consists of a 2,5-dimethylanilinium cation and an hydrogen maleate anion. In the anion, a strong intramolecular O—H...O hydrogen bond is observed, leading to anS(7) graph-set motif. In the crystal, the cations and anions pack in alternating layers parallel to (001). The ammonium group undergoes intermolecular N—H...O hydrogen-bonding interactions with the O atoms of three different hydrogen maleate anions. This results in the formation of ribbons extending parallel to [010] with hydrogen-bonding motifs of the typesR44(12) andR44(18).

scholarly journals Crystal structure of (S)-sec-butylammoniumL-tartrate monohydrate

2017 ◽  
Vol 73 (5) ◽  
pp. 716-719
Author(s):  
Ernlie A. Publicover ◽  
Jennifer Kolwich ◽  
Darcie L. Stack ◽  
Alyssa J. Doué ◽  
Kai E. O. Ylijoki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Tartaric Acid ◽  
Supramolecular Structure ◽  
Interstitial Water ◽  
Three Dimensional ◽  
Hydrogen Bonding Interactions ◽  
Molecular Salt

The title hydrated molecular salt, C4H12N+·C4H5O6−·H2O, was prepared by deprotonation of enantiopure L-tartaric acid with racemicsec-butylamine in water. Only one enantiomer was observed crystallographically, resulting from the combination of (S)-sec-butylamine with L-tartaric acid. Thesec-butylammonium moiety is disordered over two conformations related by rotation around the CH–CH2bond; the refined occupancy ratio is 0.68 (1):0.32 (1). In the crystal, molecules are linked through a network of O—H...O and N—H...O hydrogen-bonding interactions, between the ammonium H atoms, the tartrate hydroxy H atoms, and the interstitial water, forming a three-dimensional supramolecular structure.

The stereochemistry of β -diketo complexes with trimethylplatinum iv. III. The crystal structure of trimethyl (acetylacetonyl-) 2:2'-bipyridyl platinum

1962 ◽  
Vol 266 (1327) ◽  
pp. 527-546 ◽  
Keyword(s):  
Crystal Structure ◽  
Carbon Atom ◽  
Three Dimensional ◽  
Crystal Structure Analysis ◽  
Method Of Least Squares ◽  
Methylene Carbon ◽  
X Ray ◽  
Methylene Carbon Atom ◽  
Active Methylene ◽  
Oxygen Atoms

The results of an X -ray crystal structure analysis of the crystalline complex, (CH 3 ) 3 Pt(CH 3 . CO . CH . CO . CH 3 )C 10 H 8 N 2 , formed by trimethylplatinum with acetylacetone and 2:2'-bipyridyl are presented. There are four monomeric molecules in a monoclinic unit cell having a = 14.863, b = 8.480, c = 13.749 Å, β = 99° 24' at 110±10 °K and space group P 2 1 / c . The atomic positions have been determined by three-dimensional analysis from observations collected at 100 to 120 °K. Refinement, including allowance for anisotropic thermal motion, was carried out by the method of least squares until the value of the residual R was 0.084. The platinum atom is octahedrally co-ordinated to three methyl groups in the cis configuration (Pt—C = 2.05 Å), to the two nitrogen atoms of the bipyridyl (Pt—N = 2.15 Å) and to the central or ‘active methylene’ carbon atom of acetylacetone (Pt—C = 2.36 Å). The oxygen atoms of the acetylacetone take no part in the co-ordination; this is the first example of a β -diketone acting as an unidentate ligand solely through a carbon atom. Comparison of the bond lengths in this and in the dimeric trimethyl 4:6-dioxononyl platinum suggests that in both compounds the β -diketone is in the keto and not the enol form; in the present compound the oxygen atoms are not chelated and the C=0 bonds are not parallel.

scholarly journals Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate

2015 ◽  
Vol 71 (3) ◽  
pp. o186-o187
Author(s):  
Gary S. Nichol ◽  
Jamie M. Frost ◽  
Sergio Sanz ◽  
Euan K. Brechin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecules ◽  
Acetate Anion ◽  
Asymmetric Unit ◽  
Acetate Monohydrate ◽  
Polydentate Ligand ◽  
Hydrogen Bond Interactions ◽  
Hydrogen Bonding Interactions ◽  
Molecular Salt

The structure of the title hydrated molecular salt, C14H23N2O4+·C2H3O2−·H2O, was determined as part of a wider study on the use of the molecule as a polydentate ligand in the synthesis of MnIIIclusters with magnetic properties. The cation features intramolecular O—H...N and N—H...O hydrogen-bond interactions. The crystal structure features a range of intermolecular hydrogen-bonding interactions, principally O—H...O interactions between all three species in the asymmetric unit. AnR24(8) graph-set hydrogen-bonding motif between the anion and water molecules serves as a unit which links to the cationviathe diethanolamine group. Each O atom of the acetate anion accepts two hydrogen bonds.

scholarly journals (5E)-1-Benzyl-5-(3,3,3-trichloro-2-oxopropylidene)pyrrolidin-2-one

2014 ◽  
Vol 70 (6) ◽  
pp. o629-o630 ◽  
Author(s):  
Alex Fabiani Claro Flores ◽  
Darlene Correia Flores ◽  
Juliano Rosa de Menezes Vicenti ◽  
Lucas Pizzuti ◽  
Patrick Teixeira Campos
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Phenyl Ring ◽  
Pyrrolidine Ring ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Molecular Arrangement ◽  
Hydrogen Bonding Interactions ◽  
Centrosymmetric Dimers

In the crystal structure of the title compound, C14H12Cl3NO2, no classical hydrogen-bonding interactions are observed. The methylene fragments of the benzyl groups participate in non-classic hydrogen-bond interactions with the carbonyl O atoms of neighboring molecules, generating co-operative centrosymmetric dimers withR55(10) ring motifs. The overall molecular arrangement in the unit cell seems to be highly influenced by secondary non-covalent weak C—Cl...π [Cl...Cg(phenyl ring) = 3.732 (2) Å] and C—O...π [O...Cg(pyrrolidine ring) = 2.985 (2) Å] contacts.

scholarly journals rac-tert-Butyl{2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}azanium acrylate

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
Wenju Liu ◽  
Linda Yu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Tert Butyl ◽  
Hydrogen Bonding Interactions

The title salt, C13H22NO3+·C3H3O2−, comprises one salbutamol cation and an acrylate anion. The acrylate anion is linked to the salbutamol cationviaan O—H...O and an N—H...O hydrogen bond. The C=C group of the acrylate anion is disordered over two positions, with refined site occupancies of 0.812 (7) and 0.188 (7). The crystal structure is stabilized by N—H...O and O—H...O hydrogen-bonding interactions.

scholarly journals Crystal structure of Brinzolamide: a carbonic anhydrase inhibitor

2016 ◽  
Vol 72 (5) ◽  
pp. 692-695
Author(s):  
Huirong Zheng ◽  
Benyong Lou
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Secondary Amine ◽  
Resonant Scattering ◽  
Bilayer Structure ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Absolute Structure ◽  
Sulfonamide Group

In crystal structure of the title compound, C12H21N3O5S3[systematic name: (R)-4-ethylamino-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide], there exist three kinds of hydrogen-bonding interactions. The sulfonamide group is involved in hydrogen bonding with the secondary amine and the methoxy O atom, resulting in the formation of layers parallel to thebcplane. The layers are linked by an N—H...O hydrogen bond involving a sulfonamide O atom as acceptor and the secondary amine H atom as donor, which gives rise to the formation of a unique bilayer structure. The absolute structure of the molecule in the crystal was determined by resonant scattering [Flack parameter = 0.01 (4)].

scholarly journals Crystal structure of (1,3-thiazole-2-carboxylato-κN)(1,3-thiazole-2-carboxylic acid-κN)silver(I)

2019 ◽  
Vol 75 (2) ◽  
pp. 185-188
Author(s):  
Natthaya Meundaeng ◽  
Apinpus Rujiwatra ◽  
Timothy J. Prior
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Hydrogen Atom ◽  
Three Dimensional ◽  
Supramolecular Architecture ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions ◽  
Linear Configuration

The linear two-coordinate silver (I) complex [Ag(C4H2NO2S)(C4H3NO2S)] or [Ag(2-Htza)(2-tza)] is reported (2-Htza = 1,3-thiazole-2-carboxylic acid). The AgI ion is coordinated by two heterocyclic N atoms from two ligands in a linear configuration, forming a discrete coordination complex. There is an O—H...O hydrogen bond between 2-tza− and 2tzaH of adjacent complexes. The hydrogen atom is shared between the two oxygen atoms. This interaction produces a hydrogen-bonded tape parallel to the [110] direction, which is augmented through intermolecular C—H...O hydrogen-bonding interactions between the bound thiazole groups. There is a further rather long Ag...O interaction [2.8401 (13) Å, compared with a mean of 2.54 (11) Å for 23 structures in the CSD] that assembles these tapes into columns, between which there are C—H...π interactions, leading to the formation of a three-dimensional supramolecular architecture.

Synthese, Kristallstruktur und Eigenschaften von 1,1,3,3,3-Pentaaminol- 1-thio-1 λ5,3λ5-diphosphaz-2-en (NH2)2P(S)N=P(NH2)3 / Synthesis, Crystal Structure, and Properties of 1,1,3,3,3-Pentaam 1-thio-1 λ5,3λ5-diphosphaz-2-en (NH2)2P(S)N=P(NH2)3

1997 ◽  
Vol 52 (4) ◽  
pp. 490-495 ◽  
Author(s):  
Stefan Horstmann ◽  
Wolfgang Schnick
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Atom ◽  
Room Temperature ◽  
Acetonitrile Solution ◽  
Structure And Properties ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Ray Methods

Abstract (NH2)2P(S)N=P(NH2)3 has been prepared by a two step synthesis. Suitable single crystals were obtained from an acetonitrile solution in a temperature gradient between 60 °C and room temperature. The crystal structure of (NH2)2P(S)N=P(NH2)3 has been determined by single crystal X-ray methods (P21/c, a = 998.27(9) b = 762.78(8), c = 1007.70(15) pm, β = 107.340(7)°, Z = 4). In the crystal structure each hydrogen atom is subject to a hydrogen bond. Four N-H -N hydrogen bonding interactions per molecule build up a framework connecting two molecules in eight-membered rings. Each sulfur atom shows six distances N-H···S in the range of weak hydrogen bonding interactions.

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