3-(4-Chlorophenyl)-6-methyl-1,6-dihydro-1,2,4,5-tetrazine

2006 ◽  
Vol 62 (7) ◽  
pp. o2875-o2876 ◽  
Author(s):  
Feng Xu ◽  
Wei-Xiao Hu ◽  
Wei Zhou ◽  
Chun-Nian Xia
Keyword(s):  
Sodium Borohydride ◽  
Title Compound ◽  
Boat Conformation ◽  
Compound C

The title compound, C9H9ClN4, was prepared from sodium borohydride and 3-(4-chlorophenyl)-6-methyl-1,2,4,5-tetrazine. The molecule can be considered to be homoaromatic. The tetrazine ring adopts an unsymmetrical boat conformation.

scholarly journals 7′-Amino-1′H-spiro[cycloheptane-1,2′-pyrimido[4,5-d]pyrimidin]-4′(3′H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2546-o2546
Author(s):  
Shu Chen ◽  
Daxin Shi ◽  
Mingxing Liu ◽  
Jiarong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H17N5O, was obtained by cyclocondensation of 2,4-diaminopyrimidine-5-carbonitrile with cycloheptanone. The tetrahydropyrimidine ring has a distorted boat conformation and the cycloheptane ring adopts a chair conformation. In the crystal, molecules are linkedviaN—H...O and N—H...N hydrogen bonds generating a three-dimensional network.

scholarly journals 6-Amino-3-methyl-4-(3,4,5-trimethoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

2014 ◽  
Vol 70 (8) ◽  
pp. o875-o876 ◽  
Author(s):  
Naresh Sharma ◽  
Goutam Brahmachari ◽  
Bubun Banerjee ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Ring System ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-dihydropyrano[2,3-c]pyrazole ring system is 89.41 (7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, molecules are linked by N—H...N, N—H...O, C—H...N and C—H...O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are π–π interactions between the pyrazole rings in neighbouring layers [centroid–centroid distance = 3.621 (1) Å].

(4S,1′R)-Diethyl 6-methyl-2-[(1′-phenylethylimino)methyl]-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate

2006 ◽  
Vol 62 (7) ◽  
pp. o2759-o2761
Author(s):  
Viktor Vrábel ◽  
Pavol Skubák ◽  
Štefan Marchalín ◽  
Vratislav Langer ◽  
Barbora Baumlová
Keyword(s):  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Thiophene Ring ◽  
Boat Conformation ◽  
Compound C ◽  
The Absolute

The absolute configuration of the title compound, C25H28N2O4S, has been determined. The molecules are interconnected by weak C—H...O hydrogen bonds. The 1,4-dihydropyridine (1,4-DHP) ring adopts the usual shallow boat conformation. The thiophene ring is nearly planar.

scholarly journals 2,6-Diamino-4-(4-chlorophenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarbonitrile

2014 ◽  
Vol 70 (7) ◽  
pp. o812-o813 ◽  
Author(s):  
Michael Purushothaman ◽  
Kaliyaperumal Thanigaimani ◽  
Suhana Arshad ◽  
Sekar Silambarasan ◽  
Ibrahim Abdul Razak ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Compound C ◽  
Dihydropyridine Ring

In the title compound, C14H12ClN5, the dihydropyridine ring adopts a shallow boat conformation. The dihedral angle between the plane of this ring and that of the chlorobenzene ring is 69.15 (15)°. In the crystal, molecules are linked by N—H...N and N—H...Cl hydrogen bonds, generating (001) sheets.

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 (Z)-4-n-Butyl-2-(4-chlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Mohamed Ellouz ◽  
Nada Kheira Sebbar ◽  
Younes Ouzidan ◽  
Manpreet Kaur ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Title Compound ◽  
Crystal Packing ◽  
Boat Conformation ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C19H18ClNOS, the thiazin-3-one ring adopts a slightly distorted screw-boat conformation. An intramolecular C—H...S hydrogen bond encloses anS(6) ring and affects the overall conformation of the molecule. The dihedral angle between the two phenyl rings is 52.3 (2)°. In the crystal, weak C—H...O intermolecular interactions stabilize the crystal packing.

scholarly journals (Z)-3-Benzyl-1,5-benzothiazepin-4(5H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2329-o2329
Author(s):  
V. Sabari ◽  
R. Selvakumar ◽  
M. Bakthadoss ◽  
S. Aravindhan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
Compound C

In the crystal structure of the title compound, C16H13NOS, molecules are linked into cyclic centrosymmetricR22(8) dimersviapairs of N—H...O hydrogen bonds. The seven-membered ring adopts a boat conformation.

scholarly journals 9-(2,4-Dinitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o281-o281 ◽  
Author(s):  
N. Sureshbabu ◽  
V. Sughanya
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Compound C ◽  
The Mean

In the title compound, C23H24N2O7, the central 4H-pyran ring adopts a flattened boat conformation, whereas both cyclohexenone rings adopt envelope conformations, the C atom bearing the dimethyl substituent being the flap atom in each case. The mean and maximum deviation of the pyran ring are 0.0379 (4) and 0.0605 (3) Å. The mean plane of the pyran ring and the dinitrobenzene ring make a dihedral angle of 85.88 (2)°.

Ethyl 3-(anilinocarbonothioyl)-6-methyl-2,4-diphenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2006 ◽  
Vol 62 (7) ◽  
pp. o2856-o2857
Author(s):  
Shuwen Wang ◽  
Wei-Si Guo ◽  
Li-Rong Wen ◽  
Ming Li
Keyword(s):  
Hydrogen Bonds ◽  
Multicomponent Reaction ◽  
Title Compound ◽  
Ammonium Acetate ◽  
Crystal Packing ◽  
Phenyl Group ◽  
Pyrimidine Ring ◽  
Phenyl Isothiocyanate ◽  
Boat Conformation ◽  
Compound C

The title compound, C27H27N3O2S, was obtained via a multicomponent reaction using benzaldehyde, ethyl acetoacetate, ammonium acetate and phenyl isothiocyanate. The pyrimidine ring assumes a half-boat conformation. The crystal packing is stabilized by N—H...O and N—H...S hydrogen bonds. The phenyl group of the anilinocarbonothioyl group displays some rotational disorder.

scholarly journals (1R,4R,6S,7R)-5,5-Dibromo-1,4,8,8-tetramethyltricyclo[5.4.1.04,6]dodecan-12-one

2014 ◽  
Vol 70 (5) ◽  
pp. o526-o526 ◽  
Author(s):  
Mohamed Zaki ◽  
Ahmed Benharref ◽  
Jean-Claude Daran ◽  
Moha Berraho
Keyword(s):  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
The Other ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Cedrus Atlantica ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H24Br2O, was synthesized from the reaction of β-himachalene (3,5,5,9-tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzocycloheptene), which was isolated from Atlas cedar (Cedrus atlantica). The asymmetric unit contains two independent molecules with similar conformations. Each molecule is built up from two fused seven-membered rings and an additional three-membered ring. In both molecules, one of the seven-membered rings has a chair conformation, whereas the other displays a screw-boat conformation.

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