scholarly journals Crystal structure of 4-{[(cyanoimino)(methylsulfanyl)methyl]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

2015 ◽  
Vol 71 (1) ◽  
pp. 104-106
Author(s):  
Galal H. Elgemeie ◽  
Mamdouh Abouzeid ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Solid State ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
Classical Hydrogen Bond

In the title compound, C14H15N5OS, the tautomer present in the solid state is that in which the immediately exocyclic N atom bears the H atom. The central five-membered ring is almost planar (r.m.s. deviation = 0.025 Å), but both its N atoms are significantly pyramidalized. A classical hydrogen bond from the N—H group to the cyanide N atom forms inversion-symmetric dimers, which are further linked by C—H...O interactions.

scholarly journals Crystal structure of ethyl (4R)-2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate

2015 ◽  
Vol 71 (7) ◽  
pp. o519-o520
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Sabry H. H. Younes ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Membered Ring ◽  
Two Dimensional ◽  
Crystal Stability ◽  
Compound C ◽  
Dimensional Network

In the title compound, C18H17NO4, the dihedral angle between the phenyl ring and the fused six-membered ring is 77.65 (4)°. The conformation of the molecule is determined in part by an intramolecular N—H...O hydrogen bond between the amino H atom and the carbonyl O atom, forming anS(6) motif. In the crystal, molecules are linked into N—H...O hydrogen-bonded inversion dimers which are then connected into chains along [001], forming a two-dimensional network parallel to (100)viaO—H...O hydrogen bonds. C—H...O interactions further contribute to the crystal stability. The ethyl group is disordered over two sets of sites in a 0.801 (5):0.199 (5) ratio.

1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea

2012 ◽  
Vol 68 (12) ◽  
pp. o485-o487 ◽  
Author(s):  
Tirtha Bhattacharjee ◽  
Prasanta Gogoi ◽  
Vedavati G. Puranik ◽  
Rupesh L. Gawade ◽  
Pranjit Barman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Van Der Waals ◽  
Membered Ring ◽  
Van Der Waals Interactions ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C

In the title compound, C21H18N2OS2, a strong intramolecular N—H...O hydrogen bond [N...O = 2.642 (3) Å] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are packed through weak N—H...S interactions. Intra- and intermolecular hydrogen bonds and van der Waals interactions are the stabilizing forces for the crystal structure.

scholarly journals 3-[(2-Hydroxyethyl)iminomethyl]-1,1′-bi-2-naphthol

2009 ◽  
Vol 65 (6) ◽  
pp. o1226-o1226
Author(s):  
Yu Zhang ◽  
Kun Wang ◽  
Ling-Zhi Zhong ◽  
Rui-Xiang Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C

In the title compound, C23H19NO3, there is an intramolecular O—H...N hydrogen bond, which forms a six-membered ring, and intermolecular O—H...O hydrogen bonds stabilize the crystal structure.

scholarly journals Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-dihydro-1H-pyrazol-1-yl)acetate

2021 ◽  
Vol 77 (6) ◽  
pp. 615-617
Author(s):  
Nadia H. Metwally ◽  
Galal H. Elgemeie ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Layer Structure ◽  
Membered Ring ◽  
The Other ◽  
Amino Group ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Intramolecular Hydrogen

In the title compound, C14H17N3O5S, the five-membered ring is essentially planar. The substituents at the nitrogen atoms subtend a C—N—N—S torsion angle of −95.52 (6)°. The amino group forms an intramolecular hydrogen bond to a sulfonyl oxygen atom; two intermolecular hydrogen bonds from the amino group, to the other S=O group and to the oxo substituent, form a layer structure parallel to the ab plane. The structure determination confirms that the title compound is N- rather than O-alkylated.

scholarly journals Crystal structure of 1-amino-2-oxo-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile

2016 ◽  
Vol 72 (9) ◽  
pp. 1239-1241 ◽  
Author(s):  
Galal H. Elgemeie ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Membered Ring ◽  
The Other ◽  
Double Layers ◽  
Compound C ◽  
Intramolecular Hydrogen

In the title compound, C11H13N3O, the seven-membered ring adopts a conformation such that the three atoms not involved in the aromatic plane lie on the same side of that plane. One hydrazinic H atom forms an intramolecular hydrogen bond to the O atom; the other forms a classical intermolecular hydrogen bond N—H...O, which combines with a `weak' Har...O interaction to build up double layers of molecules parallel to thebcplane.

scholarly journals Unexpected synthesis and crystal structure of N-{2-[2-(2-acetylethenyl)phenoxy]ethyl}-N-ethenyl-4-methylbenzenesulfonamide

2020 ◽  
Vol 76 (12) ◽  
pp. 1851-1853
Author(s):  
Ayalew W. Temesgen ◽  
Minh Duc Luong ◽  
Hong Hieu Truong ◽  
Van Tuyen Nguyen ◽  
Thi Tuyet Anh Dang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Biological Activities ◽  
Alkaline Treatment ◽  
Membered Ring ◽  
Synthesis And Crystal Structure ◽  
Compound C ◽  
Theoretical Predictions ◽  
Acetyl Group

The title compound, C21H23NO4S, obtained by alkaline treatment of 1,5-bis(1-phenoxy)-3-azapentane at moderate heating, is a N-tosylated secondary vinylamine. An intramolecular S=O...H—C hydrogen bond generates a 13-membered ring. The benzalacetone moiety adopts a trans conformation with respect to the C=C double bond, which is slightly longer than usual due to the conjugation with a neighbouring acetyl group. Theoretical predictions of potential biological activities were performed, suggesting that the title compound can inhibit gluconate 2-dehydrogenase (85% probability), as well as to act as a mucomembranous protector (73%).

scholarly journals Crystal structure of (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide

2014 ◽  
Vol 70 (11) ◽  
pp. o1167-o1167 ◽  
Author(s):  
Ya Zhang ◽  
Peijuan Li ◽  
Xin Fan ◽  
Longfei Jin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
Planar Conformation

In the title compound, C10H9N3O3S, the five-membered ring adopts a slightly twisted conformation about the Cm—S (m = methylene) bond. The dihedral angle between this ring and the benzene ring is 7.99 (9)°. A bifurcated intramolecular N—H...(O,S) hydrogen bond helps to establish the near planar conformation of the molecule. In the crystal, molecules are linked by N—H...O and O—H...O hydrogen bonds to generate (001) sheets.

scholarly journals (2S,4R)-4-Fluoropyrrolidinium-2-carboxylate

2012 ◽  
Vol 68 (8) ◽  
pp. o2490-o2490 ◽  
Author(s):  
David B. Hobart Jr ◽  
Joseph S. Merola
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Structural Properties ◽  
Title Compound ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Carboxylate Groups ◽  
Absolute Structure

The crystal structure of the title compound, C5H8FNO2, at 100 K, displays intermolecular N—H...O hydrogen bonding between the ammonium and carboxylate groups as a result of its zwitterionic nature in the solid state. The five-membered ring adopts an envelope conformation with the C atom at the 3-position as the flap. The compound is of interest with respect to the synthesis and structural properties of synthetic collagens. The absolute structure was determined by comparison with the commercially available material.

scholarly journals (Z)-3-[(3,5-Dichloroanilino)methylidene]-5-(4-methylphenyl)furan-2(3H)-one

IUCrData ◽  
2018 ◽  
Vol 3 (8) ◽  
Author(s):  
Vyacheslav S. Grinev ◽  
Alexander K. Osipov ◽  
Alevtina Yu. Yegorova
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Solid State ◽  
Title Compound ◽  
Interatomic Distance ◽  
Compound C

The crystal structure of the title compound, C18H13Cl2NO2, at 120 K has triclinic (P\overline{1}) symmetry. The molecule demonstrates non-planarity in the solid state and a Z configuration for the exocyclic C=C bond. The Z form is stabilized by the presence of an intramolecular N—H...O hydrogen bond with an O...H interatomic distance of 2.18 (2) Å.

scholarly journals Ethyl 3-nitro-4-(n-propylamino)benzoate

2009 ◽  
Vol 65 (6) ◽  
pp. o1380-o1380
Author(s):  
Guo-Hua Zhang ◽  
Yong-Zhong Wu ◽  
Hao-Yuan Li ◽  
Bo-Nian Liu ◽  
Cheng Guo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C

In the molecule of the title compound, C12H16N2O4, an intramolecular N—H...O hydrogen bond results in the formation of a six-membered ring having an envelope conformation. In the crystal structure, a bifurcated intra/intermolecular N—H...(O,O) hydrogen bond generates inversion dimers.

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