Tetrakis[(1-phenyltetrazol-5-yl)sulfanylmethyl]methane

2007 ◽  
Vol 63 (3) ◽  
pp. o1145-o1147 ◽  
Author(s):  
Alexander S. Lyakhov ◽  
Marina V. Zatsepina ◽  
Tatiana V. Artamonova ◽  
Pavel N. Gaponik ◽  
Grigorii I. Koldobskii
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Π Interactions ◽  
Compound C

The title compound, C33H28N16S4, prepared by the divergent method, presents a core unit for further synthesis of tetrazole-containing dendrimers. The central C atom lies on a crystallographic twofold rotation axis. π–π Interactions and weak non-classical C—H...N hydrogen bonds are responsible for the formation of layers parallel to the bc plane, with van der Waals interactions between them.

1-Hydroxycyclohexanecarboxylic acid

2007 ◽  
Vol 63 (11) ◽  
pp. o4213-o4213
Author(s):  
Liang-zhong Xu ◽  
Guang-Wei An ◽  
Xu-Dong Yang ◽  
Xu Yi
Keyword(s):  
Hydrogen Bonds ◽  
Broad Spectrum ◽  
Title Compound ◽  
Van Der Waals ◽  
Chair Conformation ◽  
The Other ◽  
Van Der Waals Interactions ◽  
Cyclohexane Ring ◽  
Compound C ◽  
Trade Name

The title compound, C7H12O3, was synthesized as an intermediate for the synthesis of the selective broad-spectrum nonsystemic acaricide spirodiclofen (trade name Envidor). The cyclohexane ring adopts a chair conformation. The molecules pack in layers, with O—H...O hydrogen bonds connecting the layers on one side and only van der Waals interactions on the other side.

scholarly journals Ethyl (3-nitro-2-oxo-1,2-dihydropyridin-1-yl)acetate

2006 ◽  
Vol 62 (7) ◽  
pp. o2714-o2716 ◽  
Author(s):  
N. David Karis ◽  
Wendy A. Loughlin ◽  
Ian D. Jenkins ◽  
Peter C. Healy
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Van Der Waals ◽  
The Other ◽  
Van Der Waals Interactions ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The title compound, C9H10N2O5, crystallizes with two crystallographically independent molecules in the asymmetric unit. In the crystal structure, the nitropyridone rings are connected by weak C—H...O interactions, forming sheet-like arrays, which are in turn linked by C—H...π and π–π interactions between the nitropyridone rings on one side, and by C—H...O and van der Waals interactions between the ester groups on the other.

1-Benzoyl-3-[(2-benzylsulfanyl)phenyl]thiourea

2012 ◽  
Vol 68 (12) ◽  
pp. o485-o487 ◽  
Author(s):  
Tirtha Bhattacharjee ◽  
Prasanta Gogoi ◽  
Vedavati G. Puranik ◽  
Rupesh L. Gawade ◽  
Pranjit Barman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Van Der Waals ◽  
Membered Ring ◽  
Van Der Waals Interactions ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C

In the title compound, C21H18N2OS2, a strong intramolecular N—H...O hydrogen bond [N...O = 2.642 (3) Å] between the amide N atom and the benzoyl O atom forms an almost planar six-membered ring in the central part of the molecule. In the crystal, molecules are packed through weak N—H...S interactions. Intra- and intermolecular hydrogen bonds and van der Waals interactions are the stabilizing forces for the crystal structure.

scholarly journals Crystal structure of bis(4-methoxyphenyl) malonate

2015 ◽  
Vol 71 (5) ◽  
pp. o330-o331
Author(s):  
H. C. Devarajegowda ◽  
P. A. Suchetan ◽  
S. Sreenivasa ◽  
H. T. Srinivasa ◽  
B. S. Palakshamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The complete molecule of the title compound, C17H16O6, is generated by crystallographic twofold symmetry, with the central methylene C atom lying on the rotation axis. The carbonyl O atom is disordered over two adjacent positions in a 0.63 (3):0.37 (3) ratio and the dihedral angle between the benzene rings in the two halves of the molecule is 79.31 (12)°. In the crystal, molecules are connected by C—H...O hydrogen bonds, generating (110) sheets. Very weak intrasheet C—H...π interactions are also observed.

scholarly journals N-[4-Chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2534-o2534
Author(s):  
Yu Zhou ◽  
Lili Ren ◽  
Yongyu Lu ◽  
Feng Zhang ◽  
Guoguang Chen
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C

In the title compound, C12H13ClF3NO, the C—C—N—C torsion angle between the benzene ring and the pivaloyl group is −33.9 (5)°. In the crystal, molecules are linkedviaN—H...O hydrogen bonds to form chains running parallel to thecaxis. Weak van der Waals interactions are also observed.

scholarly journals Crystal structure and Hirshfeld surface analysis of 2,2,2-trichloro-N,N-bis{[(1RS,4SR)-1,4-dihydro-1,4-epoxynaphthalen-1-yl]methyl}acetamide

2021 ◽  
Vol 77 (10) ◽  
pp. 1048-1053
Author(s):  
Zeliha Atioğlu ◽  
Mehmet Akkurt ◽  
Gunay Z. Mammadova ◽  
Ajaya Bhattarai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Surface Analysis ◽  
Title Compound ◽  
Van Der Waals ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H18Cl3NO3, the tetrahydrofuran rings adopt envelope conformations. In the crystal, C—H...O hydrogen bonds connect molecules, generating layers parallel to the (001) plane. These layers are connected along the c-axis direction by C—H...π interactions. The packing is further stabilized by interlayer van der Waals and interhalogen interactions. The most important contributions to the surface contacts are from H...H (36.8%), Cl...H/H...Cl (26.6%), C...H/H...C (18.8%) and O...H/H...O (11.3%) interactions, as concluded from a Hirshfeld surface analysis.

2,3-Di-p-toluoyl-(2R,3R)-tartaric acid ethyl acetate solvate

2006 ◽  
Vol 62 (5) ◽  
pp. o1685-o1686 ◽  
Author(s):  
Li-Da Tang ◽  
Gui-Yun Duan ◽  
Da-Tong Zhang ◽  
Jian-Wu Wang
Keyword(s):  
Hydrogen Bonds ◽  
Ethyl Acetate ◽  
Tartaric Acid ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Acid Molecule ◽  
Bond Lengths ◽  
Compound C

In the title compound, C20H18O8·C4H8O2, all bond lengths and angles in the di-p-toluoyltartaric acid molecule are normal. The structure is stabilized by O—H...O and C—H...O hydrogen bonds in addition to van der Waals interactions.

scholarly journals (E)-4-(Benzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethylidene)aniline hemihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Li Hong ◽  
Zhang Xin
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Benzothiazole Derivative ◽  
Compound C ◽  
Dimensional Network

The title compound, C19H13N3S·0.5H2O, is a benzothiazole derivative that crystallized as a hemihydrate, the water O atom being situated on a twofold rotation axis. The dihedral angles between the central benzene ring and the benzothiazole (r.m.s. deviation = 0.012 Å) and pyridine rings are 3.57 (6) and 10.12 (8)°, respectively, indicating that the molecule is nearly planar. The conformation about the N=C bond is E. In the crystal, molecules are linked by Owater—H...Npyridine hydrogen bonds, forming dimers, which in turn are linked by C—H...O hydrogen bonds into layers parallel to the ab plane. The layers are linked by offset π–π interactions, forming a three-dimensional network [shortest intercentroid distance = 3.721 (2) Å].

scholarly journals 3,5-Dimethoxyphenyl 4-methylbenzenesulfonate

IUCrData ◽  
2017 ◽  
Vol 2 (7) ◽  
Author(s):  
Aleksandra Olszowy ◽  
Dawid Siodłak ◽  
Bartosz Zarychta
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Sulfonate Group ◽  
Aromatic Rings ◽  
Compound C

Molecules of the title compound, C15H16O5S, are composed of a 3,5-dimethoxyphenyl moiety substituted with a toluene-4-sulfonate group. The dihedral angle between two aromatic rings is 57.23 (4)°. In the crystal, molecules are connected by weak C—H...O hydrogen bonds and S...O van der Waals interactions.

scholarly journals Sulfathiazolium nitrate monohydrate

2006 ◽  
Vol 62 (4) ◽  
pp. o1573-o1574
Author(s):  
Afroza Banu ◽  
G. M. Golzar Hossain
Keyword(s):  
Crystal Structure ◽  
Nitric Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Room Temperature ◽  
Van Der Waals ◽  
Van Der Waals Interactions ◽  
Compound C ◽  
Network Of Hydrogen Bonds ◽  
Dilute Nitric Acid

The title compound, C9H10N3O2S2 +·NO3 −·H2O, was obtained from a solution of sulfathiazole in dilute nitric acid at room temperature. The crystal structure is stabilized by a network of hydrogen bonds and van der Waals interactions.

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