N,N′-Bis(4-methylphenyl)-3-oxapentanediamide

2006 ◽  
Vol 62 (5) ◽  
pp. o1861-o1862
Author(s):  
Yong-Hong Wen ◽  
Hui-Ling Wen ◽  
Xue-Mei Li ◽  
Shu-Sheng Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Symmetry ◽  
Compound C

The title compound, C18H20N2O3, has twofold rotation symmetry. Molecules are linked into ribbons along the c axis by N—H...O and C—H...O hydrogen bonds.

scholarly journals Crystal structure of 2,4,6-trimethylbenzoic anhydride

2017 ◽  
Vol 73 (11) ◽  
pp. 1735-1738
Author(s):  
Michael A. Land ◽  
Katherine N. Robertson ◽  
Jason A. C. Clyburne
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Rotation Symmetry ◽  
Compound C ◽  
Benzoic Anhydride ◽  
Ether Solution

The title compound, C20H22O3, was formed in the reaction between 2,4,6-trimethylbenzoic acid andN,N-diisopropylethylamine in the presence of 1,3-dichloro-1,3-bis(dimethylamino)propenium hydrogen dichloride, and was recrystallized from diethyl ether solution. It is the first exclusively alkyl-substituted benzoic anhydride to have been structurally characterized. The asymmetric unit consists of a half molecule, the other half of which is generated by twofold rotation symmetry; the dihedral angle between the symmetry-related aromatic rings is 54.97 (3)°. The geometric parameters of the aromatic ring are typical of those for 2,4,6-trimethylphenyl substituted groups. The C=O and C—O bond lengths are 1.1934 (12) and 1.3958 (11) Å, respectively, and the angle between these three atoms (O=C—O) is 121.24 (9)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds and C—H...π interactions. The packing features wavy chains that extend parallel to [001].

scholarly journals Bis[4-(4-aminophenylsulfanyl)phenyl] ketone

2009 ◽  
Vol 65 (6) ◽  
pp. o1251-o1251
Author(s):  
Gang Zhang ◽  
Yan-lun Wang ◽  
Sheng-ru Long ◽  
Jie Yang
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Rotation Symmetry ◽  
Compound C ◽  
Phenyl Rings ◽  
Phenyl Ketone

The molecule of the title compound, C25H20N2OS2, has imposed twofold rotation symmetry. The dihedral angle formed by the two crystallographically independent phenyl rings is 79.23 (7)°. In the crystal packing, the molecules are linked by intermolecular N—H...O hydrogen bonds, forming chains running parallel to [102].

1,3-Bis(2-pyridylaminomethyl)benzene

2007 ◽  
Vol 63 (11) ◽  
pp. o4399-o4399 ◽  
Author(s):  
Li-Na Zhu ◽  
Shan Gao ◽  
Li-Hua Huo
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
Pyridyl Ring ◽  
Dimensional Chain ◽  
Rotation Symmetry ◽  
One Dimensional ◽  
Compound C

The complete molecule of the title compound, C18H18N4, is generated by crystallographic twofold rotation symmetry, with two C atoms lying on the rotation axis. The pair of pyridyl rings form a dihedral angle of 78.4 (2)° and the dihedral angle between the pyridyl ring and the central benzene ring is 110.4 (2)°. The molecules are linked into a one-dimensional chain by N—H...N hydrogen bonds.

scholarly journals Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate

2015 ◽  
Vol 71 (6) ◽  
pp. o435-o435
Author(s):  
K. S. Ezhilarasi ◽  
Sivasamy Selvarani ◽  
Perumal Rajakumar ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Title Compound ◽  
The Other ◽  
Rotation Symmetry ◽  
Twofold Axis ◽  
Compound C ◽  
Ring Motif

The whole molecule of the title compound, C14H9NO6, is generated by twofold rotation symmetry; the twofold axis bisects the nitro group and the benzene ring. The nitro group is inclined to the benzene ring by 14.42 (9)°. The prop-2-yn-1-yl groups are inclined to the benzene ring by 13 (2)° and to each other by 24 (3)°; one directed above the plane of the benzene ring and the other below. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming inversion dimers with anR22(18) ring motif. The dimers are linked by further C—H...O hydrogen bonds, forming sheets lying parallel to (100).

scholarly journals 3,3′-Dicyclopentyl-1,1′-(1,3-phenylenedimethylene)dibenzimidazol-1-ium bis(hexafluorophosphate)

2012 ◽  
Vol 68 (6) ◽  
pp. o1868-o1868
Author(s):  
Rosenani A. Haque ◽  
S. Fatimah Nasri ◽  
Mohd Mustaqim Rosli ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Benzimidazole Ring ◽  
Rotation Symmetry ◽  
Compound C ◽  
Dimensional Network

In the title compound, C32H36N4 2+·2PF6 −, the cation and the anions each have crystallographic twofold rotation symmetry. The benzimidazole ring is almost planar [r.m.s. deviation = 0.0161 (1) Å] and makes a dihedral angle of 5.77 (4)° with its symmetry-related component and a dihedral angle of 80.96 (5)° with the central benzene ring. The cyclopentyl ring adopts a half-chair conformation. In the crystal, molecules are linked into a three-dimensional network through C—H...F hydrogen bonds. A C—H...π interaction is also observed.

scholarly journals Crystal structure and Hirshfeld surface analysis of 3-[(1E)-(4-{4-[(E)-(3-hydroxybenzylidene)amino]phenoxy}phenylimino)methyl]phenol

2021 ◽  
Vol 77 (3) ◽  
pp. 266-269
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Farouq E. Hawaiz ◽  
Sahar M. I. Elgarhy ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Title Compound ◽  
Crystal Packing ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Rotation Symmetry ◽  
Π Interactions ◽  
Compound C

In the crystal, the molecule of the title compound, C26H20N2O3, has crystallographically imposed twofold rotation symmetry. The crystal packing consists of layers parallel to the ab plane formed by O—H...N and C—H...O hydrogen bonds. Between the layers, C—H...π interactions are observed.

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.

Sign in / Sign up

Export Citation Format

Share Document