scholarly journals Crystal structure and absolute configuration of (3aS,4S,5R,7aR)-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol

2015 ◽  
Vol 71 (9) ◽  
pp. 1013-1016 ◽  
Author(s):  
Mario A. Macías ◽  
Leopoldo Suescun ◽  
Enrique Pandolfi ◽  
Valeria Schapiro ◽  
Gaurao D. Tibhe ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Absolute Configuration ◽  
Title Compound ◽  
Membered Ring ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compound C ◽  
The Mean

The absolute configuration of the title compound, C10H16O4, determined as 3aS,4S,5R,7aRon the basis of the synthetic pathway, was confirmed by X-ray diffraction. The molecule contains a five- and a six-membered ring that adopt twisted and envelope conformations, respectively. The dihedral angle between the mean planes of the rings is 76.80 (11)° as a result of theircis-fusion. In the crystal, molecules are linked by two pairs of O—H...O hydrogen bonds, forming chains along [010]. These chains are further connected by weaker C—H...O interactions along [100], creating (001) sheets that interact only by weak van der Waals forces.

scholarly journals Crystal structure ofN-(1-acetyl-3-chloro-1H-indazol-6-yl)-4-methoxybenzenesulfonamide

2015 ◽  
Vol 71 (12) ◽  
pp. o914-o915
Author(s):  
Yassine Hakmaoui ◽  
El Mostapha Rakib ◽  
Ahmed Gamouh ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
The Mean ◽  
Sulfonamide Group

In the title compound, C16H14ClN3O4S, the six-membered ring of the indazole group is connected to a sulfonamide group. The indazole system is essentially planar, with the greatest deviation from the mean plane being 0.007 (2) Å. The dihedral angle between the two six-membered rings is 74.99 (9)°. The crystal structure exhibits inversion dimers in which molecules are linked by pairs of N—H...O and C—H...O hydrogen bonds.

scholarly journals Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide

2016 ◽  
Vol 72 (2) ◽  
pp. 133-135
Author(s):  
Qi-Di Zhong ◽  
Sheng-Quan Hu ◽  
Hong Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Bond Forming ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C13H12N2O2(I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intramolecular N—H...O hydrogen bond forming an S(7) ring motif. In the crystal, molecules are linkedviaa pair of N—H...O hydrogen bonds forming inversion dimers. C—H...O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C—H...π interactions forming layers parallel to theacplane.

scholarly journals Crystal structure of dimethyl 3,3′-[(4-fluorophenyl)methylene]bis(1H-indole-2-carboxylate)

2015 ◽  
Vol 71 (10) ◽  
pp. 1140-1142 ◽  
Author(s):  
Hong-Shun Sun ◽  
Yu-long Li ◽  
Hong Jiang ◽  
Ning Xu ◽  
Hong Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C27H21FN2O4, the mean planes of the indole ring systems (r.m.s. deviations = 0.0263 and 0.0160 Å) are approximately perpendicular to one another, making a dihedral angle of 84.0 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 89.5 (5) and 84.6 (3)°. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into inversion dimers, which are further linked by N—H...O hydrogen bonds into supramolecular chains propagated along theb-axis direction. Weak C—H...π interactions are observed between neighbouring chains.

scholarly journals Crystal structure of tolylfluanid

2014 ◽  
Vol 70 (10) ◽  
pp. o1114-o1115
Author(s):  
Seonghwa Cho ◽  
Jineun Kim ◽  
Gihaeng Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dimethylamino Group ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Cl Atom

The title compound, C10H13Cl2FN2O2S2{systematic name:N-[(dichlorofluoromethyl)sulfanyl]-N′,N′-dimethyl-N-p-tolylsulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the dimethylamino group and that of the benzene ring is 32.3 (3)°. One Cl atom and one F atom of the dichlorofluoromethylthio group are disordered over two sets of sites with an occupancy ratio of 0.605 (9):0.395 (9). In the crystal structure, two C—H...Cl hydrogen bonds link adjacent molecules, forming dimers withR22(14) loops. C—H...O hydrogen bonds link pairs of dimers into chains along theb-axis direction. These chains are joined by an additional C—H...O contact, generating a sheet in theabplane.

(Z)-5-(2-Fluorobenzylidene)-1,3-thiazolidine-2,4-dione

2007 ◽  
Vol 63 (11) ◽  
pp. o4473-o4473
Author(s):  
Hong-shun Sun ◽  
Chuan-hao Yao ◽  
Wei He ◽  
Shi-gui Tang ◽  
Cheng Guo
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C

In the title compound, C10H6FNO2S, the benzene and thiazolidine rings are oriented at a dihedral angle of 8.90 (3)°. Intramolecular C—H...O, C—H...F and C—H...S hydrogen bonds result in the formation of two nearly planar five-membered rings and one non-planar six-membered ring, the five-membered rings being also nearly coplanar with the adjacent rings. In the crystal structure, intermolecular N—H...O and C—H...O hydrogen bonds link the molecules.

scholarly journals Crystal structure ofN-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]-2-[(E)-(2-hydroxybenzylidene)amino]acetamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1011-o1012
Author(s):  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
Channappa N. Kavitha ◽  
Hemmige S. Yathirajan ◽  
K. Byrappa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Thiophene Ring ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Imine Bond

In the title compound, C22H19ClN2O3S, the dihedral angle between the mean planes of the thiophene ring and the chlorophenyl and hydroxyphenyl rings are 70.1 (1) and 40.2 (4)°, respectively. The benzene rings are twisted with respect to each other by 88.9 (3)°. The imine bond lies in anEconformation. Intramolecular O—H...N and N—H...O hydrogen bonds each generateS(6) ring motifs. In the crystal, weak C—H...O interactions link the molecules, forming chains along thecaxis and zigzag chains along thebaxis, generating sheets lying parallel to (100).

scholarly journals Crystal structure of 4-chloro-N-[2-(piperidin-1-yl)ethyl]benzamide monohydrate

2015 ◽  
Vol 71 (1) ◽  
pp. o39-o40 ◽  
Author(s):  
K. Prathebha ◽  
D. Reuben Jonathan ◽  
B. K Revathi ◽  
S. Sathya ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Compound C ◽  
The Mean

In the title compound, C14H19ClN2O2·H2O, the piperdine ring adopts a chair conformation. The dihedral angle between the mean plane of the piperidine ring and that of the phenyl ring is 41.64 (1)°. In the crystal, molecules are linked by O—H...N, N—H...O and C—H...O hydrogen bonds involving the water molecule, forming double-stranded chains propagating along [010].

scholarly journals Crystal structure of 3-amino-1-(4-hydroxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

2015 ◽  
Vol 71 (8) ◽  
pp. o536-o537
Author(s):  
Mehmet Akkurt ◽  
Peter N. Horton ◽  
Sabry H. H. Younes ◽  
Shaaban K. Mohamed ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Boat Conformation ◽  
Naphthalene Ring ◽  
Pyran Ring ◽  
Compound C ◽  
The Mean

In the title compound, C20H14N2O2, the hydroxybenzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 85.56 (4)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, O—H...N and N—H...O hydrogen bonds link the molecules into a supramolecular layer in thebcplane; N—H...π interactions also contribute to this arrangement. The layers are linked by weak by C—H...π and π–π [inter-centroid separation = 3.8713 (7) Å] interactions.

scholarly journals Crystal structure of 4-(4b,8a-dihydro-9H-pyrido[3,4-b]indol-1-yl)-7-methyl-2H-chromen-2-one

2017 ◽  
Vol 73 (1) ◽  
pp. 56-58 ◽  
Author(s):  
S. Samundeeswari ◽  
Manohar V. Kulkarni ◽  
G. N. Anil Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring Systems ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

The title compound, C21H14N2O2, was prepared by Pictet–Spengler cyclization of tryptamine and 4-formyl coumarin. In the molecule, the dihedral angle between the mean planes of the coumarin and β-carboline ring systems is 63.8 (2)°. In the crystal, molecules are linkedviaN—H...N hydrogen bonds, forming chains along theb-axis direction. Within the chains, there are a number of offset π–π interactions present [shortest intercentroid distance = 3.457 (2) Å].

scholarly journals Crystal structure of diethyl 3,3′-[(4-nitrophenyl)methylene]bis(1H-indole-2-carboxylate)

2017 ◽  
Vol 73 (12) ◽  
pp. 1956-1958
Author(s):  
Hong-Shun Sun ◽  
Yu-Long Li ◽  
Hong Jiang ◽  
Yu-Liang Chen ◽  
Ya-Di Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C29H25N3O6, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0115 and 0.0082 Å) are approximately perpendicular to one another, making a dihedral angle of 89.7 (5)°; the benzene ring is twisted with respect to the two indole ring systems by 52.6 (4) and 88.2 (3)°. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into the inversion dimers, which are further linked into supramolecular chains along theb-axis direction. Weak C—H...O hydrogen bonds and C—H...π interactions are also observed in the crystal.

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