2-(Dibenzoylamino)pyridine

2006 ◽  
Vol 62 (5) ◽  
pp. o1868-o1869 ◽  
Author(s):  
Yan-Bo Weng ◽  
Jing-Kang Wang ◽  
Yan-Fei Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Intramolecular Hydrogen Bonds ◽  
Compound C ◽  
Highly Effective ◽  
Intramolecular Hydrogen

The title compound, C19H14N2O2, is a highly effective nematicide. No inter- or intramolecular hydrogen bonds are observed in the crystal structure.

scholarly journals Crystal structure of 3,6-dihydroxy-4,5-dimethylbenzene-1,2-dicarbaldehyde

2018 ◽  
Vol 74 (10) ◽  
pp. 1424-1426 ◽  
Author(s):  
Shu Yamazaki ◽  
Kazuki Nishiyama ◽  
Shiomi Yagi ◽  
Tomoyuki Haraguchi ◽  
Takashiro Akitsu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Intramolecular Hydrogen Bonds ◽  
Compound C ◽  
Planar Molecule ◽  
Intramolecular Hydrogen ◽  
Hydroxy Groups

The title compound, C10H10O4, was synthesized from tetramethyl-1,4-benzoquinone. In the crystal, the almost planar molecule (r.m.s. deviation = 0.024 Å) forms intramolecular hydrogen bonds between the aldehyde and hydroxy groups and exhibits C 2v symmetry. This achiral molecule crystallizes in the chiral space group P21 with intermolecular O—H...O and C—H...O hydrogen bonding and C—H...π and C=O...π interactions stabilizing the crystal packing.

N-(4-Methylbenzoyl)-N′-(4-methylphenyl)thiourea

2007 ◽  
Vol 63 (11) ◽  
pp. o4395-o4395
Author(s):  
S. Aminah A. Razis ◽  
M. Sukeri M. Yusof ◽  
A. Maisara Kadir ◽  
Bohari M. Yamin
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intermolecular Hydrogen Bonds ◽  
Intramolecular Hydrogen Bonds ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C16H16N2OS, adopts a trans–cis configuration of the 4-methylbenzoyl and 4-methylphenyl groups, with respect to the thiono S atom across the thiourea C—N bonds. The dihedral angle between the two groups is 10.36 (8)°. The structure is stabilized by intermolecular hydrogen bonds which form dimers. There are also intramolecular hydrogen bonds.

scholarly journals (E)-2-Amino-4-(3,3-dimethyl-2-oxobutylidene)-1-[2-(2-hydroxyethoxy)ethyl]-6-methyl-1,4-dihydropyridine-3-carbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2572-o2572
Author(s):  
Hyung Jin Kim ◽  
Young Hyun Kim ◽  
Enkhzul Otgonbaatar ◽  
Chee-Hun Kwak
Keyword(s):  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Zigzag Chain ◽  
Intramolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C ◽  
Intramolecular Hydrogen ◽  
Dihydropyridine Ring

In the title compound, C17H25N3O3, there are intramolecular hydrogen bonds between an amine H atom and the epoxy O atom, and between a dihydropyridine ring H atom and the ketone O atom. In the crystal, molecules are linked into a zigzag chain running parallel to thecaxis by hydrogen bonds between the hydroxy group and the ketone O atom. There are also weak C—H...O and C—H...π interactions which link the molecules into sheets lying in thebcplane.

scholarly journals N,N′-Bis[2,6-bis(1-methylethyl)phenyl]pyridine-4-carboximidamide toluene hemisolvate

2021 ◽  
Vol 77 (2) ◽  
pp. 117-120
Author(s):  
Lola Cottin ◽  
Sarah Girard ◽  
Garry S. Hanan ◽  
Mihaela Cibian
Keyword(s):  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Intramolecular Hydrogen Bonds ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C30H39N3·0.5C7H8, is a symmetrically N,N′-disubstituted arylamidine containing a 4-pyridyl substituent on the carbon atom of the N–C–N linkage and bulky 2,6-diisopropylphenyl groups on the nitrogen atoms. It crystallizes in the Z-anti configuration and its amidine C—N bonds present amine [1.368 (1) Å] and imine [1.286 (1) Å] features. Intramolecular hydrogen bonds are present in the structure together with intermolecular N—H...N and C—H...N interactions linking the molecules in chains along the a- and c-axis directions.

scholarly journals Ethyl (E)-2-(2,7-dimethyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-ylidene)acetate

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Oulemda Bassou ◽  
Hakima Chicha ◽  
Latifa Bouissane ◽  
El Mostapha Rakib ◽  
Mohamed Saadi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intramolecular Hydrogen Bonds ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Acceptor Atom ◽  
The Mean ◽  
Intramolecular Hydrogen

In the title compound, C14H14O5, the two heterocyclic rings are coplanar (r.m.s. deviation = 0.008 Å), with the largest deviation from the mean plane being 0.012 (1) Å. The mean plane through the acetate group is inclined slightly with respect to the oxopyrano[4,3-b]pyran-4-yl system, as indicated by the dihedral angle of 1.70 (7)° between them. Two intramolecular hydrogen bonds, completingS(6) ring motifs, are observed in the molecule. In the crystal, molecules are linked by weak C—H...O hydrogen bonds involving the same acceptor atom, forming chains propagating along thec-axis direction and enclosingR21(6) ring motifs. The chains are linkedviaoffset π–π interactions [intercentroid distance = 3.622 (1) Å], involving inversion-related oxopyrano[4,3-b]pyran-4-yl ring systems, forming slabs parallel to thebcplane.

scholarly journals Crystal structure of a new monoclinic polymorph of 2,4-dihydroxybenzaldehyde 4-methylthiosemicarbazone

2015 ◽  
Vol 71 (1) ◽  
pp. 58-61 ◽  
Author(s):  
M. A. Salam ◽  
Mouayed A. Hussein ◽  
Edward R. T. Tiekink
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Three Dimensional ◽  
Specific Interactions ◽  
Acta Cryst ◽  
Compound C ◽  
Intramolecular Hydrogen

The title compound, C9H11N3O2S, is a second monoclinic (P21/c) polymorph of the previously reportedCcform [Tanet al.(2008b).Acta Cryst.E64, o2224]. The molecule is non-planar, with the dihedral angle between the N3CS residue (r.m.s. deviation = 0.0816 Å) and the benzene ring being 21.36 (4)°. The conformation about the C=N bond [1.292 (2) Å] isE, the two N-bound H atoms areanti, and the inner hydroxy O-bound and outer amide N-bound H atoms form intramolecular hydrogen bonds to the imine N atom. Crucially, the H atom of the outer hydroxy group is approximatelysynto the H atom of the benzene C atom connecting the two C atoms bearing the hydroxy substituents. This arrangement enables the formation of supramolecular tubes aligned along [010] and sustained by N—H...O, O—H...S and N—H...S hydrogen bonds; the tubes pack with no specific interactions between them. While the molecular structure in theCcform is comparable, the H atom of the outer hydroxy group is approximatelyanti, rather thansyn. This different orientation leads to the formation a three-dimensional architecture based on N—H...O and O—H...S hydrogen bonds.

scholarly journals Crystal structure of (+)-methyl (E)-3-[(2S,4S,5R)-2-amino-5-hydroxymethyl-2-trichloromethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate

2016 ◽  
Vol 72 (3) ◽  
pp. 343-346 ◽  
Author(s):  
Takeshi Oishi ◽  
Daichi Yasushima ◽  
Kihiro Yuasa ◽  
Takaaki Sato ◽  
Noritaka Chida
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Amino Groups ◽  
Disordered Structure ◽  
Compound C ◽  
Sheet Structure ◽  
The Mean ◽  
Intramolecular Hydrogen

In the title compound, C10H14Cl3NO5, the five-membered dioxolane ring adopts an envelope conformation. The C atom at the flap, which is bonded to the hydroxymethyl substituent, deviates from the mean plane of other ring atoms by 0.357 (5) Å. There are two intramolecular hydrogen bonds (O—H...N and N—H...O) between the hydroxy and amino groups, so that O- and N-bound H atoms involved in these hydrogen bonds are each disordered with equal occupancies of 0.50. The methyl 2-methylprop-2-enoate substituent also shows a disordered structure over two sets of sites with refined occupancies of 0.482 (5) and 0.518 (5). In the crystal, molecules are connected into a dimer by an O—H...O hydrogen bond. The dimers are further linked by N—H...O, C—H...N and C—H...O interactions, extending a sheet structure parallel to (\overline{1}01).

(1E,4E)-1,5-Bis(2-chlorophenyl)penta-1,4-dien-3-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4379-o4379 ◽  
Author(s):  
M. Nizam Mohideen ◽  
S. Thenmozhi ◽  
A. Subbiah Pandi ◽  
Ramalingam Murugan ◽  
S. Sriman Narayanan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Intramolecular Hydrogen Bonds ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Space Group ◽  
Benzene Rings ◽  
Intramolecular Hydrogen

The title compound, C17H12Cl2O, crystallizes in a centrosymmetric space group. The dihedral angle between the two benzene rings is 24.7 (1)°. The crystal packing is characterized by non-classical C—H...O and C—H...Cl inter- and intramolecular hydrogen bonds.

scholarly journals Crystal structure, DFT and MEP study of (E)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol

2020 ◽  
Vol 76 (2) ◽  
pp. 141-144 ◽  
Author(s):  
Hanife Saraçoğlu ◽  
Onur Erman Doğan ◽  
Tuğgan Ağar ◽  
Necmi Dege ◽  
Turganbay S. Iskenderov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Density Functional ◽  
Molecular Geometry ◽  
Basis Set ◽  
Frontier Molecular Orbital ◽  
Π Interactions ◽  
Compound C ◽  
Intramolecular Hydrogen

In the crystal structure of the title compound, C14H12ClNO, the molecules are linked through C—H...O hydrogen bonds and C—H...π interactions, forming chains parallel to the [010] direction. π–π interactions and intramolecular hydrogen bonds are also observed. The molecular geometry of the title compound in the ground state has been calculated using density functional theory at the B3LYP level with the 6–311++G(2d,2p) basis set. Additionally, frontier molecular orbital and molecular electrostatic potential map analyses were performed.

scholarly journals Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide

2014 ◽  
Vol 70 (11) ◽  
pp. 415-417 ◽  
Author(s):  
G. Vimala ◽  
J. Govindaraj ◽  
J. Haribabu ◽  
R. Karvembu ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Resonant Scattering ◽  
Ring System ◽  
Compound C ◽  
Intramolecular Hydrogen ◽  
Absolute Structure

In the title compound, C14H11N3OS, the acenaphthylene ring system and hydrazinecarbothioamide unit (=N—NH—C=S—NH–) are essentially coplanar [with maximum deviations from their mean planes of −0.009 (2) and 0.033 (2) Å, respectively], and make a dihedral angle of 1.59 (9)°. The molecular conformation is stabilized by two weak intramolecular hydrogen bonds (N—H...O and N—H...N), which generateS(6) andS(5) ring motifs. In the crystal, molecules are linked by N—H...S hydrogen bonds, forming chains along [010]. The chains are linkedviapairs of C—H...O hydrogen bonds, enclosingR22(10) ring motifs, and C—H...π interactions, forming a three-dimensional framework. The absolute structure of the title compound was determined by resonant scattering.

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