scholarly journals Methyl 2-(4-methoxy-3-nitrobenzamido)acetate

2012 ◽  
Vol 68 (8) ◽  
pp. o2343-o2343
Author(s):  
Xin Zhu ◽  
Qiujuan Ma
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
A Chain

The title compound, C11H12N2O6, crystallizes with two independent molecules in the asymmetric unit, which differ slightly in conformation. The dihedral angle between the amide O=C—N plane and the attached benzene ring is 19.5 (3)° in one molecule and 23.4 (3)° in the other. In the crystal, the two independent molecules are connected alternately by N—H...O hydrogen bonds, forming a chain along theaaxis.

scholarly journals 1-(2,4-Difluorophenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2460-o2460 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Prakash S. Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C7H6F2N2S, consists of two independent molecules, with comparable geometries. In one molecule, the thiourea moiety is essentially planar (r.m.s. deviation = 0.014 Å) and it forms a dihedral angle of 78.67 (9)° with the benzene ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.011 Å and 81.71 (8)°, respectively. In both molecules, one of the F atoms is disordered over two positions with refined site occupancies of 0.572 (3):0.428 (3) and 0.909 (2):0.091 (2), respectively. In the crystal, molecules are linkedviaN—H...S and C—H...F hydrogen bonds into two-dimensional networks parallel to (010).

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

2014 ◽  
Vol 70 (2) ◽  
pp. o181-o181 ◽  
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Ouafa Amiri ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C15H14ClN3O2S, contains two independent molecules showing different conformations: in one molecule, the indazole ring system makes a dihedral angle of 51.5 (1)° with the benzene ring whereas in the other, the indazole unit is almost perpendicular to the benzene ring [dihedral angle 77.7 (1)°]. In the crystal, the molecules are linked by N—H...N and N—H...O hydrogen bonds, forming a set of four molecules linked in pairs about an inversion centre.

scholarly journals 2-(1,3-Benzodioxol-5-yl)-1H-benzimidazole

2014 ◽  
Vol 70 (2) ◽  
pp. o157-o157
Author(s):  
Nadir Ghichi ◽  
Mohamed Amine Benaouida ◽  
Ali Benosmane ◽  
Ali Benboudiaf ◽  
Hocine Merazig
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C14H10N2O2, contains two independent molecules. In each molecule, the benzodioxole ring system displays an envelope conformation, with the methylene C atom located at the flap deviating by 0.081 (2) and 0.230 (2) Å from the mean plane formed by the other atoms. The dihedral angles between the benzoimidazole ring system (all atoms) and the benzodioxole benzene ring are 15.35 (6) and 10.99 (7)°. In the crystal, molecules are linked by N—H...N hydrogen bonds into chains running along the [101].

scholarly journals 2,4-Dichloro-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone

IUCrData ◽  
2019 ◽  
Vol 4 (10) ◽  
Author(s):  
Tarun Kumar Pal ◽  
Md Ashraful Alam ◽  
Md Dulal Hossain ◽  
Subrata Paul ◽  
Ryuta Miyatake ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C14H11Cl2NO2, has been prepared by the condensation of 3,5-dichlorosalicylaldehyde and 2-amino-4-methylphenol. The asymmetric unit consists of two independent molecules, both of which are almost planar; the dihedral angle between the two benzene rings is 10.61 (8)° for one molecule and 2.46 (8)° for the other. There is an intramolecular N—H...O hydrogen bond that generates S(6) ring motifs in each molecule. In the crystal, the two independent molecules are linked by O—H...O and C—H...Cl hydrogen bonds, forming a pseudo-inversion dimer. A π–π interaction, with a centroid–centroid distance of 3.6065 (12) Å, is also observed.

scholarly journals MethylN-hydroxy-N-(2-methylphenyl)carbamate

2013 ◽  
Vol 69 (2) ◽  
pp. o230-o230
Author(s):  
Binbin Zhang ◽  
Yifeng Wang ◽  
Kun Dong ◽  
Danqian Xu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

There are three independent molecules in the asymmetric unit of the title compound, C9H11NO3, which are connected by O—H...O hydrogen bonds, forming anR33(15) ring. The dihedral angles between the planes of the benzene and amide groups are 75.16 (3), 71.47 (3) and 70.56 (3)°. The hydroxy O atom lies 0.912 (3), 1.172 (2) and 1.339 (2) Å from the mean plane of the corresponding benzene ring in the three molecules.

[(Z)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate

2007 ◽  
Vol 63 (11) ◽  
pp. o4261-o4262
Author(s):  
Kensuke Okuda ◽  
Hiromi Watanabe ◽  
Takashi Hirota ◽  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H14N4O2·0.5C4H8O2, there are two crystallographically independent oxime molecules and one solvent molecule. Each oxime molecule has intramolecular N—H...O and N—H...N hydrogen bonds, which make the non-H atoms approximately coplanar except for the naphthyl groups. The two independent molecules are connected to each other by O—H...N hydrogen bonds, forming a dimer. Dimers are linked into a layer through C—H...O, C—H...N and C—H...π interactions. There is π-stacking of approximately parallel oxadiazole rings, with a centroid–centroid distance of 3.6234 (9) Å and a dihedral angle of 8.90 (6)°. Dioxane C and H atoms are disordered over two sites each, with occupancy factors of ca 0.78:0.22.

scholarly journals 6,7-Dimethoxy-2,4-diphenylquinoline

2014 ◽  
Vol 70 (2) ◽  
pp. o165-o165
Author(s):  
M. Prabhuswamy ◽  
S. Madan Kumar ◽  
T. R. Swaroop ◽  
K. S. Rangappa ◽  
N. K. Lokanath
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
Independent Molecules ◽  
Dimeric Aggregates

In the title structure of the title compound, C23H19NO2, two conformationally similar molecules (AandB) comprise the asymmetric unit. The dihedral angle between phenyl rings bridged by the quinoline moiety are 76.25 (8)° in moleculeAand 70.39 (9)° in moleculeB. In the crystal, the independent molecules are connected by C—H...O hydrogen bonds and the resulting dimeric aggregates are linked by π–π [inter-centroid distance = 3.7370 (8) Å] and C—H...π interactions, forming a three-dimensional architecture.

scholarly journals 4-Chloro-N-methylbenzamide

2012 ◽  
Vol 68 (4) ◽  
pp. o937-o937
Author(s):  
Juan Yuan ◽  
Yan-Ju Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Amide Group ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

There are two molecules in the asymmetric unit of the title compound, C8H8ClNO, which are linked in the crystal structureviaN—H...O hydrogen bonds into chains along thebaxis. C—H...O contacts also occur. The benzene ring makes dihedral angles of 5.9 (1) and 16.7 (1)°with the attached amide group in the two independent molecules.

scholarly journals N-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

2014 ◽  
Vol 70 (3) ◽  
pp. o301-o302 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Bárbara Regina Santos Feitosa ◽  
Christian Näther ◽  
Inke Jess
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

There are two independent molecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent molecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first molecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N—N—C—N fragment make dihedral angles of 12.92 (14)° in the first independent molecule and 7.60 (13)° in the second. In the crystal, molecules are linked by weak N—H...S hydrogen bonds into chains along thea-axis direction. The crystal packing ressembles a herringbone arrangement.

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).

Sign in / Sign up

Export Citation Format

Share Document