scholarly journals tert-Butyl (2S,3R,4R)-7′-bromo-4-methyl-2′,5-dioxo-4,5-dihydro-3H-spiro[furan-2,3′-indoline]-3-carboxylate

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Chen-Hong Meng ◽  
Ai-Bao Xia
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Furan Ring ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C17H18BrNO5, the furan ring has an envelope conformation with the carboxylate substituted C atom as the flap. The planar indoline ring is inclined to the mean plane of the furan ring by 87.5 (2)°. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds forming chains propagating along the a-axis direction.

scholarly journals Crystal structure of tetraethyl 27,30-dioxo-7,12,20,25-tetra-tert-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.11,5.14,8.110,14.114,18.117,21]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o778-o779
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omran A. Omran ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
A Chain

The asymmetric unit of the title compound, C54H64O12S4, consists of one half of the molecule, which is located on an inversion centre. The heterocyclic six-membered ring adopts a distorted envelope conformation with the spiro C atom as the flap. In the crystal, molecules are linked by weak C—H...O hydrogen bonds with anR22(14) motif, forming a chain along theb-axis direction.

scholarly journals Crystal structure of 2-isopropyl-5,7′-dimethyl-1′,3′,3a',6′,8a',8b'-hexahydrospiro[cyclohexane-1,6′-furo[3,4-d]imidazo[1,5-b]isoxazol]-8′(7′H)-one

2016 ◽  
Vol 72 (8) ◽  
pp. 1150-1152
Author(s):  
Heithem Abda ◽  
Khaireddine Ezzayani ◽  
Kaiss Aouadi ◽  
Taha Guerfel ◽  
Sebastien Vidal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C17H28N2O3, the isoxazolidine ring adopts an envelope conformation with the O atom deviating from the mean plane of the other four ring atoms by 0.617 (1) Å. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming chains which extend along theb-axis direction.

scholarly journals 5-Cyclopentyl-2-methyl-3-(3-methylphenylsulfonyl)-1-benzofuran

2014 ◽  
Vol 70 (4) ◽  
pp. o481-o481 ◽  
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C21H22O3S, the five-membered ring adopts an envelope conformation with theipsoatom deviating by 0.596 (2) Å from the plane through the rest of the ring atoms. The dihedral angle between the mean planes of the benzofuran andm-tolyl moieties is 78.4 (1)°. In the crystal, molecules related by a glide plane are linkedviaC—H...O hydrogen bonds into chains along thea-axis direction. These chains are in turn connected by C—H...π interactions into layers parallel to theacplane.

scholarly journals {(3S,5R)-5-(2,4-Difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran-3-yl}methyl 4-methylbenzenesulfonate

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Qing-Shuang Ma ◽  
Xiao-Guang Wang ◽  
Lei Xu ◽  
Sun Bin ◽  
Dao-Hong Xia ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Best Fit

In the title compound, C21H21F2N3O4S, the tetrahydrofuran ring adopts an envelope conformation with the β-C atom positioned at the flap. The triazole, difluorophenyl and tolyl rings of the various substituents on the tetrahydrofuran ring are inclined at 77.88 (12), 83.81 (10) and 81.00 (10)°, respectively, to the best-fit mean plane through the five atoms of the tetrahydrofuran ring. In the crystal, weak C—H...O and C—H...F hydrogen bonds link the molecules into a three-dimensional structure, with molecules stacked along thea-axis direction.

scholarly journals 9-(1H-Benzo[d]imidazol-2-yl)-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Gerardo García González ◽  
M. V. Basavanag Unnamatla
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Benzimidazole Derivative ◽  
Axis Direction ◽  
Compound C ◽  
The Mean

The title compound, C19H19N3, is a 2-heteroaryl benzimidazole derivative obtained through a straightforward and efficient protocol starting from julolidine-9-carbaldehyde and 1,2-phenylendiamine. The mean planes of the heterocyclic moieties in the molecule, benzimidazole and julolidine, form a dihedral angle of 40.9 (1)°. In the crystal, N—H...N hydrogen bonds link the imidazole rings, forming chains along the c-axis direction.

scholarly journals 4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Jaqueline Evangelista Queiroz ◽  
Giuliana Muniz Vila Verde ◽  
Mariette Miguens Pereira ◽  
Manuela Ramos Silva ◽  
Gilberto L. B. Aquino
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Microwave Assisted ◽  
Compound C ◽  
The Mean

In the title compound, C18H18O3, a dihydrocoumarin synthesizedviaa microwave-assisted hydroarylation reaction, the 4-methoxyphenyl ring is inclined to the mean plane of the coumarin moiety by 78.21 (9)°. The pyran ring has a screw-boat conformation and its mean plane is inclined to the fused benzene ring by 13.88 (11)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming ribbons along theb-axis direction. The ribbons are linkedviaC—H...π interactions, forming slabs parallel to theabplane.

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.

scholarly journals Crystal structure of 3-amino-5,5-dimethyl-2-[(E)-2-nitroethenyl]cyclohex-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. 379-381
Author(s):  
Brigita Vigante ◽  
Dmitrijs Stepanovs ◽  
Andrejs Pelss ◽  
Anatoly Mishnev
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C10H14N2O3, contains two independent molecules with similar conformations. In the both molecules, the cyclohexene rings adopt the same envelope conformation with the flap C atoms lying 0.658 (3) and 0.668 (3) Å from the mean planes formed by the remaining atoms. In the crystal, adjacent molecules are connectedviaN—H...O hydrogen bonds and weak C—H...O interactions, forming supramolecular layers parallel to (-101).

scholarly journals 6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde

2014 ◽  
Vol 70 (5) ◽  
pp. o583-o583 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
The Mean

In the title compound, C10H5FO3, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0071 Å), with the largest deviation from the mean plane [0.0203 (15) Å] being found for the ring C atom in the 2-position. In the crystal, molecules are linked into a three-dimensional architectureviaC—H...O hydrogen bonds and π–π stacking interactions between the chromone units along thea-axis direction [centroid–centroid distance between the benzene and pyran rings = 3.707 (2) Å].

scholarly journals Di-tert-butyl 1-[2-hydroxy-3-(methylsulfanyl)propyl]hydrazine-1,2-dicarboxylate

2014 ◽  
Vol 70 (8) ◽  
pp. o843-o843
Author(s):  
Xiao-Guang Bai ◽  
Xiao-Yu Yang ◽  
Ju-Xian Wang
Keyword(s):  
Hydrogen Bonds ◽  
Hydrazine Hydrate ◽  
Title Compound ◽  
Axis Direction ◽  
Tert Butyl ◽  
Compound C ◽  
Supramolecular Chains

The title compound, C14H28N2O5S, was synthesized by the reaction of 2-[(methylsulfanyl)methyl]oxirane with di-tert-butyl oxalate in hydrazine hydrate. In the crystal, molecules are linked by N—H...O and O—H...O hydrogen bonds into supramolecular chains propagating along theb-axis direction.

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