scholarly journals 2-(6-Methyl-1-benzofuran-3-yl)acetic acid

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
N. Ramprasad ◽  
K. V. Arjuna Gowda ◽  
Ramakrishna Gowda ◽  
Mahantesha Basanagouda ◽  
K. S. Kantharaj ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Hydrogen Atoms ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C11H10O3, contains two crystallographically independent molecules (AandB) with nearly matching conformations. Both molecules are almost planar [r.m.s. overlay fit for the non-hydrogen atoms = 0.011 (1) Å] and in each molecule there is a short intramolecular C—H...O contact. In both molecules, the OH group of the acetic acid residue occupies a position approximately antiperiplanar to the C atom of the heterocycle. In the crystal, the two molecules are linked by a pair of O—H...O hydrogen bonds, enclosing anR22(8) ring motif and forming anA–Bdimer. The dimers are linked by C—H...π interactions, forming columns along the [010] direction.

scholarly journals Crystal structure of benzyl (E)-2-(3,4-dimethoxybenzylidene)hydrazine-1-carbodithioate

2015 ◽  
Vol 71 (2) ◽  
pp. 238-240 ◽  
Author(s):  
Yew-Fung Tan ◽  
Mohammed Khaled bin Break ◽  
M. Ibrahim M. Tahir ◽  
Teng-Jin Khoo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Condensation Reaction ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

The title compound, C17H18N2O2S2, synthesizedviaa condensation reaction betweenS-benzyl dithiocarbazate and 3,4-dimethoxybenzaldehyde, crystallized with two independent molecules (AandB) in the asymmetric unit. Both molecules have an L-shape but differ in the orientation of the benzyl ring with respect to the 3,4-dimethoxybenzylidine ring, this dihedral angle is 65.59 (8)° in moleculeAand 73.10 (8)° in moleculeB. In the crystal, theAandBmolecules are linkedviapairs of N—H...S hydrogen bonds, forming dimers with anR22(8) ring motif. The dimers are linkedviapairs of C—H...O hydrogen bonds, giving inversion dimers of dimers. These units are linked by C—H...π interactions, forming ribbons propagating in the [100] direction.

scholarly journals (10-Ethyl-10H-phenothiazine-3,7-diyl)bis(p-tolylmethanone)

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Karunakaran Hemanathan ◽  
Mahalingam Ravivarma ◽  
Chinnadurai Satheeshkumar ◽  
Perumal Rajakumar ◽  
K. Sakthi Murugesan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Ring Motif

The title compound, C30H25NO2S, crystallizes with two independent molecules (AandB) having similar conformations in the asymmetric unit. Both phenothiazine units have a butterfly structure; the dihedral angles between the planes of the benzene rings are 17.95 (13) and 12.65 (14)° for moleculesAandB, respectively. In the crystal, theBmolecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers with anR22(10) ring motif. TheAmolecules are linked by C—H...π interactions. Layers ofAmolecules and layers ofBmolecules are linked by a second C—H...π interaction, formingA–B–B–Aslabs, which stack back-to-back and lie parallel to thebcplane.

scholarly journals 3-Benzyl-5,5-diphenylimidazolidine-2,4-dione

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Walid Guerrab ◽  
Rachida Akrad ◽  
Mhammed Ansar ◽  
Jamal Taoufik ◽  
Joel T. Mague ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Corrugated Sheets ◽  
Benzyl Substituent

The asymmetric unit of the title compound, C22H18N2O2, consists of two independent molecules differing primarily in the orientation of the benzyl substituent. The two independent molecules are associated through complementary C—H...π interactions and are elaborated into corrugated sheets by paired N—H...O and C—H...O hydrogen bonds. Additional C—H...O hydrogen bonds bind the sheets together.

scholarly journals 4-Cyano-3,5-bis(phenyl)pyrazole

IUCrData ◽  
2017 ◽  
Vol 2 (9) ◽  
Author(s):  
Ningfeng Zhao ◽  
Aanuoluwapo Adeyemi ◽  
Arielle Pompilius
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Ring Motif

There are two independent molecules in the asymmetric unit of the title compound, C16H11N3. The molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(6) ring motif.

[(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 Crystal structure ofN-(quinolin-6-yl)hydroxylamine

2014 ◽  
Vol 70 (11) ◽  
pp. 322-324 ◽  
Author(s):  
Anuruddha Rajapakse ◽  
Roman Hillebrand ◽  
Sarah M. Lewis ◽  
Zachary D. Parsons ◽  
Charles L. Barnes ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
A Minor

The title compound, C9H8N2O, crystallized with four independent molecules in the asymmetric unit. The four molecules are linkedviaone O—H...N and two N—H...N hydrogen bonds, forming a tetramer-like unit. In the crystal, molecules are further linked by O—H...N and N—H...O hydrogen bonds forming layers parallel to (001). These layers are linkedviaC—H...O hydrogen bonds and a number of weak C—H...π interactions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a minor twin component of 0.319.

scholarly journals 3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one

2012 ◽  
Vol 68 (4) ◽  
pp. o1063-o1063
Author(s):  
Sumati Anthal ◽  
Ambika Sambyal ◽  
R. K. Bamzai ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Cyclohexene Ring ◽  
Independent Molecules

The asymmetric unit of the title compound, C14H16ClNO, contains two independent molecules, both with the cyclohexene ring in a sofa conformation. In the crystal, N—H...O hydrogen bonds link the molecules related by translation along theaaxis into two crystallographically independent chains. Weak C—H...π interactions are also observed.

scholarly journals 1-(2-Bromophenyl)-3-(4-chlorobutanoyl)thiourea

2012 ◽  
Vol 68 (4) ◽  
pp. o1267-o1267 ◽  
Author(s):  
Mohd Sukeri Mohd Yusof ◽  
Nur Farhana Embong ◽  
Suhana Arshad ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules ◽  
Ring Motif

The asymmetric unit of the title compound, C11H12BrClN2OS, consists of two crystallographically independent molecules. In each molecule, the butanoylthiourea unit is nearly planar, with maximum deviations of 0.1292 (19) and 0.3352 (18) Å from the mean plane defined by nine non-H atoms, and is twisted relative to the terminal benzene ring with dihedral angles of 69.26 (7) and 82.41 (7)°. An intramolecular N—H...O hydrogen bond generates anS(6) ring motif in each butanoylthiourea unit. In the crystal, N—H...O hydrogen bonds link the two independent molecules together, forming anR22(12) ring motif. The molecules are further connected into a tape along thecaxisviaN—H...S and C—H...S hydrogen bonds.

scholarly journals 1-Methyl-3-(2-methylphenyl)-3a-nitro-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole

2012 ◽  
Vol 68 (6) ◽  
pp. o1735-o1735
Author(s):  
S. Sundaramoorthy ◽  
N. Sivakumar ◽  
M. Bakthadoss ◽  
D. Velmurugan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
The Other ◽  
Asymmetric Unit ◽  
Pyran Ring ◽  
Pyrrolidine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C19H20N2O3, contains two independent molecules in both of which the pyrrolidine ring adopts an envelope conformation, but with a C atom as the flap in one molecule and the N atom in the other. The pyran ring adopts a half-chair conformation in both molecules. In the crystal, molecules are linked via C—H...O hydrogen bonds and C—H...π interactions.

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

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Tarun Kumar Pal ◽  
Md Dulal Hossain ◽  
Md Chanmiya Sheikh ◽  
Ryuta Miyatake ◽  
Md Ashraful Alam
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Ring Motif

The new bromo-substituted title compound, C14H11Br2NO2, was synthesized by the condensation of 3,5-dibromosalicylaldehyde and 2-amino-4-methyl phenol. The asymmetric unit consists of two crystallographically independent molecules (AandB), which are related to each other by a pseudo-inversion centre. Both molecules are almost planar; dihedral angles between the two benzene rings are 11.40 (11)° forAand 3.05 (12)° forB. In each molecule, there is an intramolecular N—H...O hydrogen bond with anS(6) ring motif. In the crystal, two independent molecules are linked by O—H...O hydrogen bonds, forming a pseudo-inversionA–Bdimer.

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