scholarly journals (Z)-1-Benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1H-pyrrole-3-carbonitrile

IUCrData ◽  
2019 ◽  
Vol 4 (2) ◽  
Author(s):  
Yuika Onami ◽  
Budanur P. Siddaraju ◽  
Haleyur G. Anilkumar ◽  
Hemmige S. Yathirajan ◽  
Tomoyuki Haraguchi ◽  
...  
Keyword(s):  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Carbon Atom ◽  
Triple Bonds ◽  
Compound C ◽  
Pyrrole Derivative ◽  
Membered Heterocycle ◽  
Single Bonds ◽  
Asymmetric Carbon

The title compound, C19H12N2O3, obtained as an intermediate in the synthesis of a pyrrole derivative, is composed of a five-membered heterocycle with substituted groups via double or triple bonds as well as single bonds, without an asymmetric carbon atom. An intramolecular O—H...O link occurs. In the crystal, O—H...N hydrogen bonds link the molecules.

scholarly journals Crystal structure of (Z)-7,8-dichloro-4-(2-oxopropylidene)-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1059-o1060
Author(s):  
Sanae Lahmidi ◽  
Abdelhanine Essaghouani ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Compound C ◽  
The Mean ◽  
Membered Heterocycle ◽  
Supramolecular Chains

In the title compound, C12H10Cl2N2O2, the seven-membered heterocycle displays a half-chair conformation. The mean plane through the oxopropylidene group makes a dihedral angle of 36.44 (9)° with the fused benzene ring. An intramolecular N—H...O hydrogen bond to close anS(6) loop is noted. An important feature of the molecular packing are N—H...O hydrogen bonds that lead to the formation of helical supramolecular chains along thebaxis.

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 4-Methyl-1H-1,5-benzodiazepin-2(3H)-one

IUCrData ◽  
2018 ◽  
Vol 3 (12) ◽  
Author(s):  
Khadim Dioukhane ◽  
Younas Aouine ◽  
Hassane Faraj ◽  
Anouar Alami ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Axis Direction ◽  
Compound C ◽  
Membered Heterocycle

In the title compound, C10H10N2O, the seven-membered heterocycle displays a half-chair conformation. In the crystal, N—H...O and C—H...O hydrogen bonds link the molecules into chains propagating along the a-axis direction.

scholarly journals (4R*,4aR*,7aS*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4H-furo[2,3-f]isoindole-4-carboxylic acid

2013 ◽  
Vol 69 (2) ◽  
pp. o273-o274
Author(s):  
Yuriy I. Horak ◽  
Roman Z. Lytvyn ◽  
Fedor I. Zubkov ◽  
Eugeniya V. Nikitina ◽  
Yuriy V. Homza ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H15NO4, contains two independent molecules with similar geometric parameters. In both molecules, the conformation of the cyclohexene ring is half-chair, while the pyrrolidinone ring adopts an envelope conformation with the γ-carbon atom of the α-pyrrolidinone ring as the flap. In the crystal, O—H...O hydrogen bonds between the carboxylic and carbonyl groups link alternate independent molecules into chains propagating in theb-axis direction. The crystal packing also features weak C—H...π interactions.

scholarly journals Crystal structure of 1,3-bis[(E)-benzylideneamino]propan-2-ol

2017 ◽  
Vol 73 (4) ◽  
pp. 627-629 ◽  
Author(s):  
Augusto Rivera ◽  
Ingrid Miranda-Carvajal ◽  
Jaime Ríos-Motta ◽  
Michael Bolte
Keyword(s):  
Crystal Structure ◽  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Single Bond ◽  
Axis Direction ◽  
Central Carbon Atom ◽  
Π Interactions ◽  
Compound C ◽  
Central Carbon

In the title compound, C17H18N2O, the central carbon atom with the OH substituent and one of the (E)-benzylideneamino substituents are disordered over two sets of sites with occupancies of 0.851 (4) and 0.149 (4). The relative positions of the two disorder components is equivalent to a rotation of approximately 60° about the C—N single bond. In the crystal, the molecules are held together by O—H...N hydrogen bonds, forming simpleC(5) chains along theb-axis direction. In addition, pairs of the chains are further aggregated by weak C—H...π interactions.

scholarly journals The synthesis and crystal structure of 2-(chloroselanyl)pyridine 1-oxide: the first monomeric organoselenenyl chloride stabilized by an intramolecular secondary Se...O interaction

2016 ◽  
Vol 72 (12) ◽  
pp. 1864-1866
Author(s):  
Rizvan K. Askerov ◽  
Zhanna V. Matsulevich ◽  
Galina N. Borisova ◽  
Svetlana A. Zalepkina ◽  
Vasiliy F. Smirnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Bond Angle ◽  
Planar Geometry ◽  
Synthesis And Crystal Structure ◽  
Compound C ◽  
The Ideal

The title compound, C5H4ClNOSe, is the product of the reaction of sulfuryl chloride and 2-selanyl-1-pyridine 1-oxide in dichloromethane. The molecule has an almost planar geometry (r.m.s. deviation = 0.012 Å), and its molecular structure is stabilized by an intramolecular secondary Se...O interaction of 2.353 (3) Å, closing a four-membered N—C—Se...O ring. The title compound represents the first monomeric organoselenenyl chloride stabilized intramolecularly by an interaction of this type. The non-valent attractive Se...O interaction results in a substantial distortion of the geometry of theipso-carbon atom. Theendo-cyclic N—C—Se [102.1 (3)°] andexo-cyclic C—C—Se [136.9 (3)°] bond angles deviate significantly from the ideal value of 120° for ansp2-hybridized carbon atom, the former bond angle being much smaller than the latter. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming zigzag chains propagating along [010]. The chains, which stack along thea-axis direction, are linked by offset π–π interactions [intercentroid distance = 3.960 (3) Å], forming corrugated sheets parallel to theabplane.

scholarly journals N-(3-Chloro-4-ethoxy-1-methyl-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2014 ◽  
Vol 70 (6) ◽  
pp. o679-o679 ◽  
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Abdellah Hannioui ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Ethoxy Group ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

The indazole ring system of the title compound, C17H18ClN3O4S, is almost planar (r.m.s. deviation = 0.0113 Å) and forms dihedral angles of 32.22 (8) and 57.5 (3)° with the benzene ring and the mean plane through the 4-ethoxy group, respectively. In the crystal, molecules are connected by pairs of N—H...O hydrogen bonds into inversion dimers, which are further linked by π–π interactions between the diazole rings [intercentroid distance = 3.4946 (11) Å], forming chains parallel to [101].

scholarly journals 1-(5-Benzylsulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1228-o1228
Author(s):  
Mohd Sukeri Mohd Yusof ◽  
Fatimah Abdul Mutalib ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Site Occupancy ◽  
Minor Component ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Compound C ◽  
Twist Conformation ◽  
Thiadiazole Ring ◽  
The Mean

In the title compound, C16H22N2OS2, the S atom of the thiadiazole ring and the attached methyl groups are disordered over two orientations with a refined site-occupancy ratio of 0.641 (11):0.359 (11). The thiadiazole ring is in a twist conformation in both disorder components. The mean plane through the thiadiazole ring makes dihedral angles of 77.39 (8) (major component) and 67.45 (11)° (minor component) with the benzene ring. Intramolecular C—H...N interactions generate twoS(6) ring motifs. In the crystal, molecules are linked by C—H...O hydrogen bonds into zigzag chains parallel to thebaxis.

scholarly journals N-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1857-o1857 ◽  
Author(s):  
Xi-Wang Liu ◽  
Jian-Yong Li ◽  
Han Zhang ◽  
Ya-Jun Yang ◽  
Ji-Yu Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Benzoyl Chloride ◽  
Bond Lengths ◽  
Compound C

The title compound, C10H5ClF2N2OS, was obtained by linking an amino heterocycle and a substituted benzoyl chloride. The dihedral angle between the two rings is 41.2 (2)° and the equalization of the amide C—N bond lengths reveals the existence of conjugation between the benzene ring and the thiazole unit. In the crystal, pairs of N—H...N hydrogen bonds link molecules into inversion dimers. Non-classical C—H...F and C—H...O hydrogen bonds stabilize the crystal structure.

scholarly journals Powder study of 3-azabicyclo[3.3.1]nonane-2,4-dione form 2

2006 ◽  
Vol 62 (7) ◽  
pp. o3046-o3048 ◽  
Author(s):  
Ashley T Hulme ◽  
Philippe Fernandes ◽  
Alastair Florence ◽  
Andrea Johnston ◽  
Kenneth Shankland
Keyword(s):  
Crystal Structure ◽  
Simulated Annealing ◽  
Hydrogen Bonds ◽  
Powder Diffraction ◽  
Title Compound ◽  
Variable Temperature ◽  
Polycrystalline Sample ◽  
Asymmetric Unit ◽  
X Ray ◽  
Compound C

A polycrystalline sample of a new polymorph of the title compound, C8H11NO2, was produced during a variable-temperature X-ray powder diffraction study. The crystal structure was solved at 1.67 Å resolution by simulated annealing from laboratory powder data collected at 250 K. Subsequent Rietveld refinement yielded an R wp of 0.070 to 1.54 Å resolution. The structure contains two molecules in the asymmetric unit, which form a C 2 2(8) chain motif via N—H...O hydrogen bonds.

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