scholarly journals Methyl 2-(thiophene-2-carboxamido)benzoate

2012 ◽  
Vol 68 (6) ◽  
pp. o1765-o1765 ◽  
Author(s):  
Durga Prasad Singh ◽  
Seema Pratap ◽  
Ray J. Butcher ◽  
Sushil K. Gupta
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Methyl Anthranilate ◽  
Compound C ◽  
Dimensional Network

The title compound, C13H11NO3S, was synthesized from methyl anthranilate, triethylamine and 2-thiophenoyl chloride in benzene. The molecular conformation is stabilized by an intramolecular N—H...O hydrogen bond. The dihedral angle between the rings is 2.74 (12)°. In the crystal, C—H...O interactions link neighbouring molecules into a three-dimensional network.

scholarly journals Crystal structure of 4-chloro-2-{(E)-[(3,4-dimethylphenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (6) ◽  
pp. o416-o416 ◽  
Author(s):  
Muhammad Salim ◽  
Muhammad Nawaz Tahir ◽  
Munawar Ali Munawar ◽  
Muhammad Shahid ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Acta Cryst ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H14ClNO, which is isostructural with its bromo analogue [Tahiret al.(2012).Acta Cryst., E68, o2730], the dihedral angle between the planes of the aromatic rings is 2.71 (7)° and an intramolecular O—H...N hydrogen bond closes anS(6) ring. In the crystal, extremely weak C—H...π interactions link the molecules into a three-dimensional network.

scholarly journals Redetermined structure of oxaline: absolute configuration using Cu Kα radiation

2012 ◽  
Vol 68 (6) ◽  
pp. o1626-o1626 ◽  
Author(s):  
Peng Qu ◽  
Zhi-Yong Wu ◽  
Wei-Ming Zhu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Absolute Configuration ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Absolute Structure ◽  
Atomic Coordinates

In the title compound, C24H25N5O4, the stereogenic C atom bonded to three N atoms and one C atom has an S configuration and its directly bonded neighbour has an R configuration. An intramolecular N—H...O hydrogen bond supports the near coplanarity of the two C3N2-five-membered rings [dihedral angle = 5.64 (10)°]. In the crystal, molecules are linked by N—H...N hydrogen bonds, forming a C(8) chain propagating in [001]. The chains are connected by C—H...O interactions, generating a three-dimensional network. The previous study [Nagel et al. (1974). Chem. Commun. pp. 1021–1022] did not establish the absolute structure and no atomic coordinates were published or deposited.

scholarly journals Crystal structure of 3-{1-[(1-allyl-1H-indazol-6-yl)amino]ethylidene}-6-methyl-2H-pyran-2,4(3H)-dione

2014 ◽  
Vol 70 (12) ◽  
pp. o1256-o1256 ◽  
Author(s):  
Mohamed El Ghozlani ◽  
El Mostapha Rakib ◽  
Ahmed Gamouh ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Dimensional Network

In the title compound, C18H17N3O3, the dihedral angle between the planes of the indazole ring system [maximum deviation = 0.012 (1) Å] and the pyran-2,4-dione ring is 54.03 (6)°. An intramolecular N—H...O hydrogen bond closes anS(6) ring. The same H atom also participates in an intermolecular N—H...O hydrogen bond, which generates an inversion dimer. The dimers are linked by weak C—H...O contacts, thereby forming a three-dimensional network.

scholarly journals Crystal structure of ethyl 6-(2-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-trifluoromethyl-1,3-diazinane-5-carboxylate

2015 ◽  
Vol 71 (5) ◽  
pp. o268-o269 ◽  
Author(s):  
M. S. Krishnamurthy ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
The Other ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H14F4N2O3S, the central dihydropyrimidine ring adopts a sofa conformation with the C atom bearing the 2-fluorobenzene ring displaced by 0.596 (3) Å from the other five atoms. The 2-fluorobenzene ring is positioned axially and bisects the pyrimidine ring with a dihedral angle of 70.92 (8)°. The molecular conformation is stabilized by an intramolecular O—H...O hydrogen bond, generating anS(6) ring. The crystal structure features C—H...F, N—H...S and N—H...O hydrogen bonds, which link the molecules into a three-dimensional network.

scholarly journals 2-Methoxy-6-(6-methyl-1H-benzimidazol-2-yl)phenol

2009 ◽  
Vol 65 (6) ◽  
pp. o1256-o1256 ◽  
Author(s):  
Hui-Quan Xiao ◽  
Ming-Zhu Zhang ◽  
Wei Wang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Methyl Group ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C15H14N2O2is almost planar, the dihedral angle between the 6-methyl-1H-benzimidazole plane and the 2-methoxyphenol plane being 6.9 (2)°. An intramolecular O—H...N hydrogen bond is present. Adjacent molecules are linked by N—H...O hydrogen bonds into a three-dimensional network structure. The benzoimidazole methyl group and its attached C atom are positionally disordered in a 0.724 (4):0.276 (4) ratio.

scholarly journals Crystal structure of 1-methyl-2-methylamino-3-nitro-1H-chromeno[2,3-b]pyridin-5(10aH)-one

2015 ◽  
Vol 71 (11) ◽  
pp. o824-o825
Author(s):  
Rajamani Raja ◽  
Nataraj Poomathi ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Pyran Ring ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H13N3O4, the pyran ring adopts an envelope conformation with the methine C atom as the flap. The dihedral angle between the benzene and hydropyridine rings is 29.33 (3)°. The methylamine C atom deviates from the plane of its attached ring by 0.380 (5) Å and an intramolecular N—H...O hydrogen bond closes anS(6) ring. In the crystal, weak C—H...O hydrogen bonds and aromatic π–π stacking interactions [centroid–centroid distances vary from 3.6529 (10) to 3.6872 (10) Å] link the molecules, generating a three-dimensional network.

scholarly journals tert-Butyl 2-{[5-(4-cyanophenyl)pyridin-3-yl]sulfonyl}acetate

2014 ◽  
Vol 70 (4) ◽  
pp. o415-o415
Author(s):  
H. C. Devarajegowda ◽  
B. S. Palakshamurthy ◽  
K. E. Manojkumar ◽  
S. Sreenivasa
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Tert Butyl ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In the title compound, C18H18N2O4S, the dihedral angle between the aromatic rings is 33.71 (9)° and an intramolecular C—H...O hydrogen bond closes anS(6) ring. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds to generate a three-dimensional network. A very weak aromatic π–π stacking interction is also observed [centroid–centroid separation = 3.9524 (10) Å].

scholarly journals Crystal structure of 5-diethylamino-2-({[4-(diethylamino)phenyl]imino}methyl)phenol

2015 ◽  
Vol 71 (10) ◽  
pp. o712-o713
Author(s):  
C. Vidya Rani ◽  
G. Chakkaravarthi ◽  
N. Indra Gandhi ◽  
G. Rajagopal
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Compound C ◽  
Dimensional Network ◽  
Terminal Site

In the title compound, C21H29N3O, the dihedral angle between the planes of the aromatic rings is 8.1 (2)°. The ethyl groups at one terminal site of the compound are disordered over two sets of sites with occupancies of 0.775 (9) and 0.225 (9). The molecule has anEconformation about the N=C bond. The molecular structure features an intramolecular O—H...N hydrogen bond, which closes anS(6) loop. In the crystal, weak C—H...π interactions leads to the formation of a three-dimensional network.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals 14,15-Didehydrohellebrigenin

2012 ◽  
Vol 68 (6) ◽  
pp. o1614-o1615
Author(s):  
Tong Yu ◽  
Hai-Yan Tian ◽  
Xiao-Feng Yuan ◽  
Shu-Zhi Hu ◽  
Ren-Wang Jiang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Lactone Ring ◽  
Three Dimensional ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups

The title compound, C24H30O5, is the didehydro product of the steroid hellebrigenin (systematic name: 3β,5,14-trihydroxy-19-oxo-5β-bufa-20,22-dienolide). It consists of three cyclohexane rings (A, B and C), a five-membered ring (D) and a six-membered lactone ring (E). The stereochemistry of the ring junctions are A/B cis, B/C trans and C/D cis. Cyclohexane rings A, B and C have normal chair conformations. The five-membered ring D with the C=C bond adopts an envelope conformation. Lactone ring E is essentially planar with a mean derivation of 0.006 (4) Å and is β-oriented at the C atom of ring D to which it is attached. There is an O—H...O hydrogen bond in the molecule involving the hydroxy groups. In the crystal, O—H...O hydrogen bonds link the molecules into chains propagating along [010]. The chains are linked by C—H...O contacts into a three-dimensional network.

Sign in / Sign up

Export Citation Format

Share Document