2-Carbamoyl-3-pyridyl benzoate

2007 ◽  
Vol 63 (3) ◽  
pp. o1421-o1422
Author(s):  
Gilles Gasser ◽  
Helen Stoeckli-Evans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Carboxylate Group ◽  
Asymmetric Unit ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The title compound, C13H10N2O3, crystallizes with two independent molecules (A and B) per asymmetric unit. In both molecules, there is an intramolecular N—H...N hydrogen bond and the two molecules are linked by C—H...π interactions. The main differences between the two molecules concern the orientation of the amide unit with respect to the pyridine ring, and the orientation of the carboxylate group with respect to both the pyridine and phenyl rings. In the crystal structure, symmetry-related molecules are linked by N—H...N, N—H...O and C—H...O hydrogen bonds, forming a slab-like structure, two molecules thick, which are stacked in the c-axis direction.

scholarly journals Crystal structure of (E)-2-{[(4-anilinophenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (1) ◽  
pp. 28-30 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Turganbay S. Iskenderov ◽  
Natalia O. Sharkina
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Independent Molecules ◽  
Phenol Ring

The title compound, C19H16N2O, crystallized with two independent molecules (AandB) in the asymmetric unit. There is an intramolecular O—H...N hydrogen bond in each molecule with the phenol ring being inclined to the central benzene ring by 4.93 (14) and 7.12 (14)° in moleculesAandB, respectively. The conformation of the two molecules differs essentially in the orientation of the terminal aminophenyl ring with respect to the central benzene ring; this dihedral angle is 50.51 (4)° in moleculeAand 54.61 (14)° in moleculeB. The two outer aromatic rings are inclined to one another by 51.39 (14) and 49.88 (14)° in moleculesAandB, respectively. In the crystal, molecules are connected by N—H...O hydrogen bonds generating –A-B–A–B– zigzag chains extending along [010]. The chains are linkedviaC—H...π interactions involving neighbouringAmolecules, forming slabs lying parallel to (100).

scholarly journals Crystal structure of (E)-4-{1-[2-(carbamothioyl)hydrazin-1-ylidene]ethyl}phenyl 4-methylbenzoate

2015 ◽  
Vol 71 (1) ◽  
pp. o43-o44 ◽  
Author(s):  
Karthik Ananth Mani ◽  
Vijayan Viswanathan ◽  
S. Narasimhan ◽  
Devadasan Velmurugan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H17N3O2S, consists of two independent molecules,AandB, with different conformations: in moleculeA, the dihedral angles between the central benzene ring and the pendant tolyl and carbamothioylhydrazono groups are 71.12 (9) and 5.95 (8)°, respectively. The corresponding angles in moleculeBare 50.56 (12) and 26.43 (11)°, respectively. Both molecules feature an intramolecular N—H...N hydrogen bond, which closes anS(5) ring. In the crystal, molecules are linked by N—H...O, N—H...S and C—H...O hydrogen bonds, generating a three-dimensional network.

scholarly journals Crystal structure of 2-[(E)-4-benzyloxy-2-hydroxybenzylidene]-N-cyclohexylhydrazinecarbothioamide acetonitrile hemisolvate

2014 ◽  
Vol 70 (9) ◽  
pp. o987-o988 ◽  
Author(s):  
N. R. Sajitha ◽  
M. Sithambaresan ◽  
M. R. Prathapachandra Kurup
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C21H25N3O2S·0.5C2H3N, contains two independent molecules with almost similar structural properties along with a solvent molecule of acetonitrile. The compound exists in theEconformation with respect to the azomethine C=N double bond. The hydrazinecarbothioamide moieties in both independent molecules are almost planar [maximum deviations of 0.013 (2) and 0.007 (2) Å]. The molecular conformation is stabilized in each case by an intramolecular N—H...N hydrogen bond. In the crystal, pairs of N—H...S hydrogen bonds link each of the independent molecules into inversion dimers. The dimers are interconnected by means of three C—H...π interactions.

N-(2-Pyridylcarbonyl)benzamide

2007 ◽  
Vol 63 (3) ◽  
pp. o1455-o1456 ◽  
Author(s):  
Gilles Gasser ◽  
Helen Stoeckli-Evans
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Polymer Chain ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Axis Direction ◽  
Compound C ◽  
Phenyl Rings

The title compound, C13H10N2O2, has a Z,Z (trans–trans) arrangement of the central CONHCO group and an intramolecular N—H...N hydrogen bond. The molecule has a twisted conformation; the pyridine ring, which is almost parallel to the plane of the amide function at position 2, is inclined to the phenyl ring by 50.05 (6)°. In the crystal structure, symmetry-related molecules are linked by C—H...O hydrogen bonds, forming a zigzag polymer chain extending in the a-axis direction. The chains are linked by a C—H...π interaction involving phenyl rings of adjacent chains. There is also a π–π interaction involving pyridine rings related by a center of symmetry.

scholarly journals Crystal structure of 5-chloromethyl-N-methyl-4-[(4-phenyl-1,2,3-triazol-1-yl)methyl]isoxazolidine-3-carboxamide

2016 ◽  
Vol 72 (3) ◽  
pp. 378-381
Author(s):  
Jihed Brahmi ◽  
Soumaya Nasri ◽  
Kaïss Aouadi ◽  
Erwann Jeanneau ◽  
Sébastien Vidal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Triazole Ring ◽  
Resonant Scattering ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The title compound, C15H18ClN5O2, crystallizes with two independent molecules (AandB) in the asymmetric unit. In both molecules, the isoxazolidine rings have an envelope conformation with the O atoms at the flap positions. Each molecule has three stereogenic centres with configurations 2(S), 3(S) and 4(R), confirmed by resonant scattering. Their conformations are significantly different, for example in moleculeAthe phenyl ring is inclined to the triazole ring by 32.5 (2)°, while in moleculeBthe corresponding dihedral angle is 10.7 (2)°. In the crystal, theAandBmolecules are linkedviaan N—H...O and a C—H...O hydrogen bond. These units are linked by C—H...O and C—H...N hydrogen bonds, forming slabs parallel to theabplane. There are C—H...π interactions present within the slabs.

scholarly journals Crystal structure of 2-(azaniumylmethyl)pyridinium bis(hydrogen squarate)

2017 ◽  
Vol 73 (4) ◽  
pp. 586-589
Author(s):  
Nina Salamzadeh ◽  
Zeynep Demircioglu ◽  
Ufuk Korkmaz ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Pyridine Molecule ◽  
Squaric Acid ◽  
Asymmetric Unit ◽  
Pyridinium Cation ◽  
Compound C

The asymmetric unit of the title compound, C6H10N22+·2C4HO4−, comprises two hydrogen squarate (Hsq−; systematic name: 2-hydroxy-3,4-dioxocyclobutanolate) anions and a 2-(azaniumylmethyl)pyridinium dication. The squaric acid molecules each donate an H atom to the N atoms of the pyridine ring and the aminomethyl units of a 2-(aminomethyl)pyridine molecule, forming the 1:2 salt. The Hsq−anions are linked by strong O—H...O hydrogen bonds and an N—H...O hydrogen bond links the 2-(azaniumylmethyl)pyridinium cation to one of the squaric acid anions. The crystal structure features additional N—H...O and O—H...O hydrogen bonds, π–π stacking and unusual weak C—O...π(ring) interactions.

scholarly journals Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea

2016 ◽  
Vol 72 (5) ◽  
pp. 608-611
Author(s):  
Rajeswari Gangadharan ◽  
Mathiyan Muralisankar ◽  
Anandaram Sreekanth ◽  
Abdullakutty Anees Rahman ◽  
K. Sethusankar
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H17N3O2S, there are two independent molecules (AandB), which show anEconformation with respect to the C=N bond. An intramolecular O—H...N hydrogen bond with anS(6) motif stabilizes the molecular structure. The terminal phenyl and benzene rings are almost orthogonal to each other, the dihedral angle being 87.47 (13)° for moleculeAand 89.86 (17)° for moleculeB. In the crystal, weak bifurcated N—H...(O,O) hydrogen bonds link the two independent molecules, forming a supramolecular chain with aC21(14)[R21(5)] motif along thebaxis. A weak C—H...O interaction is also observed in the chain.

scholarly journals Crystal structure of methyl 2-hydroxy-5-[(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)amino]benzoate

2015 ◽  
Vol 71 (5) ◽  
pp. o282-o283 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Hajjaj H. M. Abdu-Allah ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Heterocyclic Ring ◽  
Hydroxyl Group ◽  
Asymmetric Unit ◽  
Compound C ◽  
Rotational Orientation ◽  
Independent Molecules

The title compound, C11H10N2O4S, crystallized with two independent molecules (AandB) in the asymmetric unit. They differ primarily in the rotational orientation of the five-membered heterocyclic ring. In moleculeAthis ring is inclined to the benzene ring by 48.17 (8)°, while in moleculeBthe same dihedral angle is 23.07 (8)°. In each molecule there is an intramolecular O—H...O hydrogen bond involving the adjacent hydroxyl group and the ester carbonyl O atom. In the crystal, theAmolecules are linkedviapairs of N—H...N hydrogen bonds, forming inversion dimers. These dimers are linked to theBmoleculesviaN—H.·O, C—H...O and C—H...S hydrogen bonds forming corrugated sheets lying parallel to (102).

scholarly journals Crystal structure ofS-hexyl (E)-3-(2-hydroxybenzylidene)dithiocarbazate

2016 ◽  
Vol 72 (3) ◽  
pp. 290-292 ◽  
Author(s):  
M. S. Begum ◽  
M. B. H. Howlader ◽  
M. C. Sheikh ◽  
R. Miyatake ◽  
E. Zangrando
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

The title compound, C14H20N2OS2[systematic name:S-hexyl (E)-2-(2-hydroxybenzylidene)hydrazine-1-carbodithioate], crystallizes with four independent molecules (A–D) in the asymmetric unit. All four molecules adopt anEconformation with respect to the C=N bond of the benzylidene moiety and have an intramolecular O—H...N hydrogen bond generating anS(6) ring motif. In the crystal, theAandDmolecules are connected by a pair N—H...S hydrogen bonds, forming a dimer with anR22(8) ring motif. In the case of moleculesBandC, they are linked to themselves by pairs of N—H...S hydrogen bonds, formingB–BandC–Cinversion dimers withR22(8) ring motifs.

scholarly journals Crystal structure of 3-amino-5,5-dimethyl-2-[(E)-2-nitroethenyl]cyclohex-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. 379-381
Author(s):  
Brigita Vigante ◽  
Dmitrijs Stepanovs ◽  
Andrejs Pelss ◽  
Anatoly Mishnev
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C10H14N2O3, contains two independent molecules with similar conformations. In the both molecules, the cyclohexene rings adopt the same envelope conformation with the flap C atoms lying 0.658 (3) and 0.668 (3) Å from the mean planes formed by the remaining atoms. In the crystal, adjacent molecules are connectedviaN—H...O hydrogen bonds and weak C—H...O interactions, forming supramolecular layers parallel to (-101).

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