scholarly journals Crystal structure of ethyl 2-amino-4-(4-chlorophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2015 ◽  
Vol 71 (8) ◽  
pp. o619-o620
Author(s):  
Mohamed Bakhouch ◽  
Asmae Mahfoud ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Ring System ◽  
The Other ◽  
Bond Forming ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System ◽  
Ring Motif

The title compound, C20H16ClNO3S, is built up from three fused rings, one five- and two six-membered rings, linked to a 3-ethoxycarbonyl group and to a 4-chlorophenyl ring. The hydropyran ring has a flattened envelope conformation, with the C atom substituted by the 4-chlorophenyl ring as the flap (displaced by 0.077 (2) Å from the plane through the other atoms). The fused three-ring system is quasi-planar (r.m.s. deviation = 0.057 Å), with the largest deviation from the mean plane being 0.106 (1) Å for the C atom substituted by the 4-chlorophenyl ring. The 4-chlorophenyl ring is approximately perpendicular to the mean plane of the fused ring system, as indicated by the dihedral angle of 77.32 (6)° between their mean planes. There is an intramolecular N—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(12) ring motif. There are also short intermolecular Cl...O interactions present [3.1226 (12) Å] between neighbouring molecules.

scholarly journals Crystal structure of ethyl 2-amino-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2015 ◽  
Vol 71 (5) ◽  
pp. o366-o367
Author(s):  
Mohamed Bakhouch ◽  
Abdelali Kerbal ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Membered Ring ◽  
Carboxylate Group ◽  
Compound C ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

The molecule of the title compound, C21H19NO4S, features a fused ring system whereby a five-membered ring is flanked by two six-membered rings. This is linked to an ethyl 3-carboxylate group and to a methoxybenzene group. The fused-ring system is quasi-planar, with the greatest deviation from the mean plane being 0.131 (1) Å for the methine C atom. The plane through the methoxybenzene ring is nearly perpendicular to that through the fused-ring system, as indicated by the dihedral angle of 85.72 (6)°. An intramolecular N—H...O hydrogen bond is noted. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming layers that stack along theaaxis.

scholarly journals Crystal structure of 1,7,8,9-tetrachloro-4-(2-fluorobenzyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

2015 ◽  
Vol 71 (1) ◽  
pp. o32-o32
Author(s):  
Jia-liang Zhong ◽  
Jia-wei Hou ◽  
Li-hong Liu ◽  
He Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Fused Ring ◽  
Adjacent Molecule ◽  
Fused Ring System

In the title compound, C17H12Cl4FNO4, the configuration of the cycloalkene skeleton isendo,cis. The benzene ring is twisted by 71.01 (11)° from the attached pyrrolidine ring. In the crystal, one of the methine groups of the fused-ring system forms a weak C—H...O hydrogen bond. The other methine groups participates in a C—H...F interaction to the same adjacent molecule. Together, these generate [010] chains.

scholarly journals Crystal structure of 2-methylamino-3-nitro-4-p-tolylpyrano[3,2-c]chromen-5(4H)-one

2015 ◽  
Vol 71 (3) ◽  
pp. o158-o159
Author(s):  
J. Govindaraj ◽  
Y. AaminaNaaz ◽  
Jayabal Kamalraja ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Molecular Conformation ◽  
Ring System ◽  
The Other ◽  
Pyran Ring ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the racemic title compound, C20H16N2O5, the pyran ring adopts a shallow envelope conformation, with the stereogenic C atom displaced from the other atoms by 0.273 (2) Å. The dihedral angle between the fused-ring system and the pendantp-tolyl group is 87.62 (7)°. The molecular conformation is consolidated by an intramolecular N—H...O hydrogen bond, which generates anS(6) ring. In the crystal, molecules are linked by C—H...O interactions, resulting in [010] chains.

scholarly journals Crystal structure of (5-chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone

2015 ◽  
Vol 71 (11) ◽  
pp. o875-o876
Author(s):  
Rajamani Raja ◽  
Nataraj Poomathi ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Bond Forming ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean ◽  
Ring Motif

In the title compound, C14H9ClN2O3, the fused pyridine and isoxazole rings are approximately planar, making a dihedral angle of 1.14 (16)°. The molecule is twisted with the benzene ring and the mean plane through the fused pyridine-isoxazole ring system being inclined to one another by 47.03 (13)°. There is an intramolecular O—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linked by C—H...N hydrogen bonds, forming chains propagating along [001]. The chains are linked by slipped parallel π–π interactions, involving inversion-related benzene rings, forming slabs lying parallel to thebcplane {inter-centroid distance = 3.770 (2) Å].

scholarly journals Crystal structure of (3S*,4S*,4aS*,5R*,6R*,6aS*,7R*,11aS*,11bR*)-5,6-bis(benzoyloxy)-3,4a-dihydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-carboxylic acid methanol monosolvate

2015 ◽  
Vol 71 (10) ◽  
pp. o739-o740
Author(s):  
Sadaf Siddiqui ◽  
Osayemwenre Erharuyi ◽  
Abiodun Falodun ◽  
M. Iqbal Choudhary ◽  
Sammer Yousuf
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Ring System ◽  
Dihedral Angles ◽  
Compound C ◽  
Fused Ring ◽  
Phenyl Rings ◽  
The Mean ◽  
Fused Ring System

The title compound, C34H36O9·CH3OH, is a diterpenoid isolated from the roots ofCaesalpinia pulcherrima(L.) Swartz. The threetrans-fused six-membered rings are in chair, chair and half-chair conformations. The mean plane of this fused-ring system makes dihedral angles of 67.95 (15) and 83.72 (14)° with the two phenyl rings of the benzoyloxy groups. An intramolecular C—H...O hydrogen bond is observed. In the crystal, molecules are linkedviaO—H...O hydrogen bonds, forming an infinite chain along theb-axis direction.

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 3-(4,4-difluoro-5,7-dimethyl-4-bora-3a,4a-diaza-s-indacen-3-yl)propanoic acid

2017 ◽  
Vol 73 (12) ◽  
pp. 1974-1976
Author(s):  
Takuma Kato ◽  
Mitsunobu Doi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Acid Group ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Boron Dipyrromethene ◽  
Fused Ring ◽  
The Mean ◽  
Fused Ring System

The crystal structure of the title compound, C14H15BF2N2O2, which comprises a boron–dipyrromethene (BODIPY) backbone and a propionic acid group, has been determined at 100 K. The BODIPY fused-ring system is nearly planar, with a maximum deviation from the mean plane of 0.032 (2) Å. In the crystal, pairs of O—H...O hydrogen bonds connect the molecules, forming inversion dimers. The dimers are linkedviaC—H...O hydrogen bonds, forming a tape along theaaxis. The tapes are stacked along thecaxis through C—H...F hydrogen bonds and π–π interactions.

scholarly journals Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

2017 ◽  
Vol 73 (6) ◽  
pp. 867-870
Author(s):  
Anna Lehmann ◽  
Lisa Lechner ◽  
Krzysztof Radacki ◽  
Holger Braunschweig ◽  
Ulrike Holzgrabe
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Phenyl Ring ◽  
Ring System ◽  
Piperidine Ring ◽  
Boat Conformation ◽  
Bond Forming ◽  
Compound C ◽  
The Mean

The title compound, C23H18FNO4, crystallized as a racemate. It exhibits acisconformation with respect to the F atom and the methine H atom. The piperidine ring has a screw-boat conformation. The methoxyphenyl ring and the phenyl ring are inclined to the mean plane of the isoquinoline ring system by 89.85 (4) and 46.62 (5)°, respectively, and by 78.15 (5)° to one another. In the crystal, molecules are linked by an O—H...O hydrogen bond forming chains propagating along thea-axis direction. The chains are linked by C—H...F hydrogen bonds, forming layers lying parallel to theabplane.

scholarly journals Crystal structure of dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate

2018 ◽  
Vol 74 (3) ◽  
pp. 349-351
Author(s):  
Gajendran Jagadeesan ◽  
Immanuel Monica Chandramalar ◽  
Jayachandran Karunakaran ◽  
Solaiappan Gopinath ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Crystal Structure ◽  
Chair Conformation ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
The Mean ◽  
Ring Motif

In the title compound, C26H20O5, a 1,2-dihydronaphthalene derivative, the cyclohexa-1,3-diene ring of the 1,2-dihydronaphthalene ring system adopts a half-chair conformation. The mean plane of the 1,2-dihydronapthalene ring system makes dihedral angles of 86.23 (6) and 64.80 (7)° with two phenyl rings. The carbonyl O atom attached to the dihydronaphthalene ring system deviates from the mean plane of the 1,2-dihydronaphthalene ring system by 0.618 (1) Å. In the crystal, the molecules are linked into layers parallel to thebcplaneviatwo kinds of C—H...O interactions, one of which forms aC(10) chain motif running along thec-axis direction and the other forms anR22(6) ring motif. Adjacent layers are further connected by C—H...π and offset π–π interactions [centroid–centroid distance = 3.6318 (9) Å].

scholarly journals Crystal structure of ethyl 6-bromo-2-[(E)-2-phenylethenyl]quinoline-4-carboxylate

2015 ◽  
Vol 71 (2) ◽  
pp. o121-o121 ◽  
Author(s):  
T. O. Shrungesh Kumar ◽  
S. Naveen ◽  
M. N. Kumara ◽  
K. M. Mahadevan ◽  
N. K. Lokanath
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Ethynyl Group ◽  
Bond Forming ◽  
Compound C ◽  
Ring Motif

In the title compound, C20H16BrNO2, the dihedral angle between the quinolone ring system mean plane (r.m.s. deviation = 0.018 Å) and the phenyl ring bridged by the ethynyl group, is 25.44 (14)°. There is an intramolecular C—H...O hydrogen bond forming anS(6) ring motif. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming chains propagating along theb-axis direction.

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