scholarly journals Crystal structure of ethyl 2-chloro-6-methylquinoline-3-carboxylate

2014 ◽  
Vol 70 (9) ◽  
pp. o941-o941
Author(s):  
Hasna Hayour ◽  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Saida Benzerka ◽  
Ali Belfaitah
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Ester Group ◽  
Ring System ◽  
Quinoline Ring ◽  
Compound C ◽  
Π Stacking ◽  
Methyl Torsion

In the title compound, C13H12ClNO2, the dihedral angle between the planes of the quinoline ring system (r.m.s. deviation = 0.029 Å) and the ester group is 54.97 (6)°. The C—O—C—Cm(m = methyl) torsion angle is −140.62 (16)°. In the crystal, molecules interactviaaromatic π–π stacking [shortest centroid–centroid separation = 3.6774 (9) Å] generating (010) sheets.

scholarly journals Crystal structure of ethyl 2-chloro-5,8-dimethoxyquinoline-3-carboxylate

2014 ◽  
Vol 70 (9) ◽  
pp. o964-o965
Author(s):  
Hasna Hayour ◽  
Abdelmalek Bouraiou ◽  
Sofiane Bouacida ◽  
Saida Benzerka ◽  
Ali Belfaitah
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Quinoline Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Methyl Torsion

In the title compound, C14H14ClNO4, the dihedral angle between the quinoline ring system (r.m.s. deviation = 0.0142 Å) and ester planes is 18.99 (3)°. The C—O—C—Cm(m = methyl) torsion angle is −172.08 (10)°, indicating atransconformation. In the crystal, the molecules are linked by C—H...O and C—H...N interactions, generating layers lying parallel to (101). Aromatic π-π stacking [centroid–centroid distances = 3.557 (2) and 3.703 (2)Å] links the layers into a three-dimensional network.

scholarly journals 2,5-Dimethylphenyl quinoline-2-carboxylate

2014 ◽  
Vol 70 (2) ◽  
pp. o147-o147 ◽  
Author(s):  
E. Fazal ◽  
Manpreet Kaur ◽  
Jerry P. Jasinski ◽  
S. Nagarajan ◽  
B. S. Sudha
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Stacking Interactions ◽  
Carboxylate Group ◽  
Quinoline Ring ◽  
Compound C ◽  
Π Stacking ◽  
The Mean

In the title compound, C18H15NO2, the dihedral angle between the mean planes of the quinoline ring system and the phenyl ring is 78.8 (1)°. The mean plane of the carboxylate group is twisted from the mean planes of the quinoline ring system and phenyl ring by 1.5 (9) and 77.6 (4)°, respectively. In the crystal, molecules are linked by weak C—H...O interactions, generatingC(8) chains along [001]. Weak π–π stacking interactions are also observed [centroid–centroid separation = 3.6238 (12) Å].

scholarly journals Crystal structure of 1-ethylpyrazolo[3,4-d]pyrimidine-4(5H)-thione

2014 ◽  
Vol 70 (9) ◽  
pp. o1005-o1006 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Compound C ◽  
The Mean ◽  
Methyl Torsion

In the title compound, C7H8N4S, the methyl C atom is displaced by 1.232 (7) Å from the mean plane of the pyrazolo[3,4-d]pyrimidine ring system (r.m.s. deviation = 0.007 Å). The N—N—C—Cm(m = methyl) torsion angle is −60.3 (6)°. In the crystal, molecules are linked by N—H...S hydrogen bonds, generating [010] chains, which are reinforced by C—H...N interactions. The chains are cross-linked by weak C—H...S hydrogen bonds, generating (001) sheets.

scholarly journals 2-(Naphthalene-2-sulfonamido)-3-phenylpropanoic acid

2013 ◽  
Vol 69 (2) ◽  
pp. o194-o194 ◽  
Author(s):  
Hafiz Mubashar-ur-Rehman ◽  
Muhammad Nadeem Arshad ◽  
Abdullah M. Asiri ◽  
Islam Ullah Khan ◽  
Muhammad Bilal
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Naphthalene Ring ◽  
Compound C ◽  
Π Stacking

In the title compound, C19H17NO4S, the phenyl ring and the naphthalene ring system are oriented at a dihedral angle of 4.12 (2)° and the molecule adopts a U-shaped conformation. The Cc—C—N—S (c = carboxy) torsion angle is 90.98 (15)°. In the crystal, molecules are linked by O—H...O and N—H...O hydrogen bonds, resulting in (100) chains incorporating centrosymmetricR22(14) andR22(10) loops. Weak aromatic π–π stacking is also observed [centroid–centroid separations = 3.963 (2) and 3.932 (2) Å].

scholarly journals Ethyl 5-(4-methylphenyl)-2,4,5,7-tetraazatricyclo[6.4.0.02,6]dodeca-1(8),3,6,9,11-pentaene-3-carboxylate

IUCrData ◽  
2018 ◽  
Vol 3 (6) ◽  
Author(s):  
Ahmed Moussaif ◽  
Youssef Ramli ◽  
Lhoussaine El Ghayati ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bonds ◽  
Ethyl Ester ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Ring System ◽  
Compound C ◽  
Π Stacking

In the title compound, C18H16N4O2, the dihedral angle between the fused tricyclic ring system and the pendant benzene ring is 11.03 (4)°. The C—O—C—C torsion angle in the ethyl ester is 102.97 (12)°. The molecular conformation is supported by intramolecular C—H...N and C—H...O hydrogen bonds, which close S(6) and S(7) rings, respectively. Aromatic π–π stacking is observed in the crystal [shortest centroid–centroid separation = 3.5274 (7) Å].

scholarly journals 4-(4-Fluorophenyl)-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile

2009 ◽  
Vol 65 (6) ◽  
pp. o1354-o1354
Author(s):  
Jinpeng Zhang ◽  
Jie Ding ◽  
Shu Yan ◽  
Liangce Rong ◽  
Lichun Xu
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Quinoline Ring ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the molecule of the title compound, C20H13FN2O, the fluorophenyl ring is oriented at a dihedral angle of 72.76 (3)° with respect to the fused benzene ring. In the crystal structure, intermolecular N—H...O, C—H...O and C—H...F interactions link the molecules into chains. π–π contacts between the quinoline and benzene rings [centroid–centroid distance = 3.918 (3) Å] may further stabilize the structure. A weak C—H...π interaction is also present. The O atom and two of the CH2groups of the quinoline ring system are disordered over two positions. The O atom was refined with occupancies of 0.489 (17) and 0.511 (17), while C and H atoms were refined with occupancies of 0.435 (13) and 0.565 (13).

scholarly journals Bis(2,3-dichlorophenyl) disulfide

2014 ◽  
Vol 70 (5) ◽  
pp. o529-o529 ◽  
Author(s):  
Rebeca Nayely Osorio-Yáñez ◽  
Carmela Crisóstomo-Lucas ◽  
Ericka Santacruz-Juárez ◽  
Reyna Reyes-Martínez ◽  
David Morales-Morales
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
The Other ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C12H6Cl4S2, features an S—S bond [2.0252 (8) Å] that bridges two 2,3-dichlorophenyl rings with a C—S—S—C torsion angle of 88.35 (11)°. The benzene rings are normal one to the other with a dihedral angle of 89.83 (11)°. The crystal structure features intermolecular Cl...Cl [3.4763 (11) Å] and π–π stacking interactions [centroid–centroid distances = 3.696 (1) and 3.641 (2) Å]. Intramolecular C—H...S interactions are also observed.

scholarly journals Crystal structure of ethyl 4-(2-chlorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxylate

2015 ◽  
Vol 71 (9) ◽  
pp. o669-o669
Author(s):  
Balbir Kumar ◽  
Manmeet Kour ◽  
Satya Paul ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Ring System ◽  
Side Chain ◽  
Stacking Interactions ◽  
Compound C ◽  
Fused Ring ◽  
Fused Ring System

In the title compound, C20H17ClN2O2S, the dihedral angle between the planes of the benzothiazole fused ring system (r.m.s. deviation = 0.024 Å) and the chlorobenzene ring is 89.62 (12)°. The ester C—O—C—C side chain has anantiorientation [torsion angle = −155.2 (3)°]. In the crystal, weak aromatic π–π stacking interactions are observed between the phenyl and pyrimidine rings [centroid–centroid seperation = 3.666 (2) Å].

scholarly journals Crystal structure of 1-{(E)-[(3,4-dichlorophenyl)imino]methyl}naphthalen-2-ol

2015 ◽  
Vol 71 (9) ◽  
pp. o696-o696
Author(s):  
Muhammad Nawaz Tahir ◽  
Muhammad Anwar-ul-Haq ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Ring System ◽  
Naphthalene Ring ◽  
Compound C

In the title compound, C17H11Cl2NO, the dihedral angle between the planes of the naphthalene ring system and the benzene ring is 28.88 (11)°. The main twist in the molecule occurs about the N—Cb(b = benzene ring) bond, as indicated by the C=N—Cb—Cbtorsion angle of 31.0 (4)°. An intramolecular O—H...N hydrogen bond closes anS(6) ring. In the crystal, inversion dimers linked by pairs of very weak C—H...O interactions generateR22(16) loops.

scholarly journals Crystal structure of 10-[(3-oxo-3H-benzo[f]chromen-1-yl)methyl]-2-trifluoromethyl-9a,10-dihydrobenz[4,5]imidazo[1,2-a]pyrimidin-4(5aH)-one

2015 ◽  
Vol 71 (9) ◽  
pp. o672-o673
Author(s):  
Chandra ◽  
Shamantha Kumar. ◽  
K. B. Puttaraju ◽  
K. Shivashankar ◽  
M. Mahendra
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interaction ◽  
Compound C ◽  
Π Stacking ◽  
Π Stacking Interaction

In the title compound, C25H14F3N3O3, the dihedral angle between the planes of the benz[4,5]imidazo[1,2-a]pyrimidine unit (r.m.s. deviation = 0.035 Å) and the benzochromene ring system (r.m.s. deviation = 0.106 Å) is 72.82 (5)°. In the crystal, molecules are linked by C—H...O interactions, generating [010]C(9) chains. A weak aromatic π–π stacking interaction [centroid–centroid separation = 3.5376 (15) Å] is also observed.

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