scholarly journals 4-[(E)-4-Hydroxybut-2-en-1-yl]-2-methoxyphenol

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Kyle S. Knight ◽  
Michael C. Orick
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Side Chain ◽  
Metathesis Reaction ◽  
Cross Metathesis ◽  
Compound C

The title compound, C11H14O3, was synthesized by a cross-metathesis reaction. The dihedral angle between the aromatic ring and the butenol side chain is 30.2 (2)°. In the crystal, inversion dimers are formed through O—H...O hydrogen bonds and these are linked into chains by additional O—H...O contacts. These chains are linked into sheets in thebcplane by C—H...O hydrogen bonds.

1-Benzoyl-3-(4-chlorophenyl)thiourea

2006 ◽  
Vol 62 (4) ◽  
pp. o1419-o1420 ◽  
Author(s):  
M. Khawar Rauf ◽  
Amin Badshah ◽  
Ulrich Flörke ◽  
Aamer Saeed
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C

In the crystal structure of the title compound, C14H11ClN2OS, the dihedral angle between the two aromatic ring planes is 43.93 (6)°. The crystal packing shows dimers formed by intermolecular N—H...S hydrogen bonds which are stacked along [100].

1-(4-Chlorophenyl)-3-(4-methylbenzoyl)thiourea

2006 ◽  
Vol 62 (7) ◽  
pp. o2924-o2925 ◽  
Author(s):  
Aamer Saeed ◽  
Ulrich Flörke
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

In the structure of the title compound, C15H13ClN2OS, the dihedral angle between the two aromatic ring planes is 30.46 (8)°. Intermolecular N—H...S hydrogen bonds link the molecules into dimeric units which are stacked along [010].

scholarly journals 3-Acetyl-1-(2,6-dichlorophenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2307-o2307
Author(s):  
Sharatha Kumar ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Side Chain ◽  
Compound C

In the title compound, C9H8Cl2N2OS, the conformation of one of the N—H bonds isantito the C=S group and the other isantito the C=O group. Further, the conformations of the amide C=S and the C=O group areantito each other. The 2,6-dichlorophenyl ring and the 3-acetylthiourea side chain are inclined to one another at a dihedral angle of 83.44 (5)°. An intramolecular N—H...O hydrogen bond occurs. In the crystal, molecules form inversion dimers through pairs of N—H...S hydrogen bonds.

scholarly journals Crystal structure ofN-carbamothioyl-2-methylbenzamide

2015 ◽  
Vol 71 (6) ◽  
pp. o425-o425 ◽  
Author(s):  
Farook Adam ◽  
Nadiah Ameram ◽  
Wai Mun Tan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C

There are two molecules in the asymmetric unit of the title compound, C9H10N2OS. In one, the dihedral angle between the aromatic ring and the carbamothioyl group is 52.31 (7)° and in the other it is 36.16 (6)°. Each molecule features an intramolecular N—H...O hydrogen bond, which generates anS(6) ring and the O and S atoms have anantidisposition. In the crystal, molecules are linked by N—H...S and N—H...O hydrogen bonds, generating separate [130] and [1-30] infinite chains. Weak C—H...O and C—H...S interactions are also observed.

1-(3-Methylbenzoyl)-3-(2-methylphenyl)thiourea

2007 ◽  
Vol 63 (3) ◽  
pp. o1390-o1392 ◽  
Author(s):  
Aamer Saeed ◽  
Ulrich Flörke
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

In the structure of the title compound, C16H16N2OS, the dihedral angle between the two aromatic ring planes is 68.08 (9)°. Intermolecular N—H...S hydrogen bonds link the molecules into dimeric units which are stacked along [100].

scholarly journals Ethyl 2-amino-4-(3-nitrophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2014 ◽  
Vol 70 (5) ◽  
pp. o587-o587 ◽  
Author(s):  
Mohamed Bakhouch ◽  
Ghali Al Houari ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C20H16N2O5S, is built up by one fused five-membered and two fused six-membered rings linked to ethoxycarbonyl and 3-nitrophenyl groups. The benzothienopyran ring system is nearly planar (r.m.s deviation = 0.0392 Å) and forms a dihedral angle of 86.90 (6)° with the aromatic ring of the nitrobenzene group. In the crystal, molecules are linked by N—H...O hydrogen bonds and by π–π interactions between the phenyl ring and the six-membered heterocyle [intercentroid distance = 3.5819 (8) Å], forming a three-dimensional network.

scholarly journals Diethyl (1-hydroxy-1,2-diphenylethyl)phosphonate

2009 ◽  
Vol 65 (6) ◽  
pp. o1203-o1203 ◽  
Author(s):  
Nurcan Acar ◽  
M. Nawaz Tahir ◽  
Riaz H. Tariq ◽  
Hamza Yilmaz
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Side Chains ◽  
Π Interactions ◽  
Compound C

In the title compound, C18H23O4P, the dihedral angle between the aromatic ring planes is 69.94 (14)°. Both ethyl side chains are disordered over two sets of sites, with occupancy ratios of 80:20 and 70:30. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds occur, leading toR21(8) loops, and C—H...O and weak C—H...π interactions are also seen.

scholarly journals Crystal structure of isopropyl 2-hydroxy-2-phenylacetate: a pharmacopoeia reference standard

2017 ◽  
Vol 73 (5) ◽  
pp. 771-773
Author(s):  
Ivan Isaiev ◽  
Svitlana Shishkina ◽  
Igor Ukrainets ◽  
Elena Bevz
Keyword(s):  
Crystal Structure ◽  
Neuropathic Pain ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Reference Standard ◽  
Diabetic Neuropathic Pain ◽  
Compound C

The title compound, C11H14O3, is used as a pharmacopoeia reference standard for determining impurities in the drug Pregabalin, used for the treatment of epilepsy and diabetic neuropathic pain. The molecule is far from being planar, with the dihedral angle between the planes of the aromatic ring and the carboxyl fragment (O—C=O) being 76.1 (6)°. The isopropyl substituent is located in a synperiplanar position relative to the C=O bond and is turned so that the C—O—C—H torsion angle is −43.7°. In the crystal, bifurcated O—H...(O,O) hydrogen bonds, enclosingR12(5) ring motifs, lead to the formation of chains propagating along thec-axis direction. Inversion-related chains are linked by the C—H...O hydrogen bonds, forming undulating layers lying parallel to thebcplane.

scholarly journals 2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2581-o2581 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Cecília Santos Silva ◽  
Bárbara Regina Santos Feitosa ◽  
Christian Näther ◽  
Inke Jess
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

The molecular structure of the title compound, C11H13N3S, is not planar: the maximum deviation from the mean plane of the non-H atoms is 0.521 (2) Å for an aliphatic C atom, which corresponds to an envelope conformation for the non-aromatic ring. The hydrazinecarbothioamide substituent and the benzene ring have maximum deviations from the mean planes through the non-H atoms of 0.0288 (16) and 0.0124 (27) Å, respectively, and the dihedral angle between the two planes is 8.84 (13)°. In the crystal, molecules are linked into chains along [1-10] by pairs of N—H...S hydrogen bonds between molecules related by centres of symmetry.

scholarly journals Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate

2014 ◽  
Vol 70 (9) ◽  
pp. o938-o939
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Joel T. Mague ◽  
Eman A. Ahmed ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Side Chain ◽  
Three Dimensional Structure ◽  
Compound C ◽  
The Mean

The title compound, C14H15N3O4, is nearly planar, the dihedral angle between the planes of the phenyl and pyrazolidine rings being 1.13 (7) Å, and that between the plane of the pyrazolidine ring and the mean plane of the side chain [C—N—C–C(=O)—O; r.m.s. deviation = 0.024 Å] being 2.52 (7)°. This is due in large part to the presence of the intramolecular N—H...O and C—H...O hydrogen bonds. In the crystal, pairwise N—H...O hydrogen bonds form inversion dimers, which are further associated into layers, lying very close to plane (-120),viapairwise C—H...O hydrogen bonds. The layers are then weakly connected through C—H...O hydrogen bonds, forming a three-dimensional structure.

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