scholarly journals Crystal structure of bis(prop-2-yn-1-yl) 5-nitroisophthalate

2015 ◽  
Vol 71 (6) ◽  
pp. o435-o435
Author(s):  
K. S. Ezhilarasi ◽  
Sivasamy Selvarani ◽  
Perumal Rajakumar ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Title Compound ◽  
The Other ◽  
Rotation Symmetry ◽  
Twofold Axis ◽  
Compound C ◽  
Ring Motif

The whole molecule of the title compound, C14H9NO6, is generated by twofold rotation symmetry; the twofold axis bisects the nitro group and the benzene ring. The nitro group is inclined to the benzene ring by 14.42 (9)°. The prop-2-yn-1-yl groups are inclined to the benzene ring by 13 (2)° and to each other by 24 (3)°; one directed above the plane of the benzene ring and the other below. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming inversion dimers with anR22(18) ring motif. The dimers are linked by further C—H...O hydrogen bonds, forming sheets lying parallel to (100).

3-(2-Fluoroanilino)isobenzofuran-1(3H)-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4401-o4401
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Intermolecular Hydrogen Bonds ◽  
Compound C ◽  
Ring Motif

The crystal structure of the title compound, C14H10FNO2, is stabilized by N—H...O, two C—H...O and two C—H...F intermolecular hydrogen bonds. N—H...O, C—H...O and two C—H...F intermolecular hydrogen bonds generate a fused R 2 2(10)R 2 2(12)R 2 2(15)R 3 2(13) ring motif. In the crystal structure, molecules are linked into chains along the b axis by C—H...O hydrogen bonds. The dihedral angle between the phthalide group and the other benzene ring is 73.51 (5)°.

scholarly journals 3-Acetyl-1-(3-methylphenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2574-o2574 ◽  
Author(s):  
B. Thimme Gowda ◽  
Sabine Foro ◽  
Sharatha Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Side Chain ◽  
Maximum Deviation ◽  
Methyl Groups ◽  
Compound C ◽  
Ring Motif

In the crystal structure of the title compound, C10H12N2OS, the conformation of the two N—H bonds areantito each other. The amide C=O and the C=S are are alsoantito each other. The N—H bond adjacent to the benzene ring issynto them-methyl groups. The dihedral angle between the benzene ring and the side chain [mean plane of atoms C—C(O)N—C—N; maximum deviation 0.029 (2) Å] is 14.30 (7)°. There is an intramolecular N—H...O hydrogen bond generating anS(6) ring motif. In the crystal, the molecules are linkedviaN—H...) hydrogen bonds, forming chains propagating along [001]. The S atom is disordered and was refined using a split model [occupancy ratio 0.56 (4):0.44 (4)].

scholarly journals Crystal structure ofN,N′-(1,2-phenylene)bis(2-chloroacetamide)

2015 ◽  
Vol 71 (2) ◽  
pp. o108-o108 ◽  
Author(s):  
Javaria Tariq ◽  
Shahzad Murtaza ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Zaheer
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Secondary Amide ◽  
Two Dimensional ◽  
Compound C ◽  
Amide Carbonyl ◽  
Ring Motif

In the title compound, C10H10Cl2N2O2, the secondary amide groups are differently twisted relative to the benzene ring, with dihedral angles between the respective planes of 21.03 (2) and 81.22 (2)°. In the crystal, the molecules are connected by N—H...O and C—H...O hydrogen bonds, forming a two-dimensional polymeric network parallel to (001). One of the amide carbonyl O atoms accepts two H atoms in N—H...O and C—H...O interactions, forming anR22(6) ring motif.

scholarly journals Crystal structure of 2,4,6-trimethylbenzoic anhydride

2017 ◽  
Vol 73 (11) ◽  
pp. 1735-1738
Author(s):  
Michael A. Land ◽  
Katherine N. Robertson ◽  
Jason A. C. Clyburne
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Rotation Symmetry ◽  
Compound C ◽  
Benzoic Anhydride ◽  
Ether Solution

The title compound, C20H22O3, was formed in the reaction between 2,4,6-trimethylbenzoic acid andN,N-diisopropylethylamine in the presence of 1,3-dichloro-1,3-bis(dimethylamino)propenium hydrogen dichloride, and was recrystallized from diethyl ether solution. It is the first exclusively alkyl-substituted benzoic anhydride to have been structurally characterized. The asymmetric unit consists of a half molecule, the other half of which is generated by twofold rotation symmetry; the dihedral angle between the symmetry-related aromatic rings is 54.97 (3)°. The geometric parameters of the aromatic ring are typical of those for 2,4,6-trimethylphenyl substituted groups. The C=O and C—O bond lengths are 1.1934 (12) and 1.3958 (11) Å, respectively, and the angle between these three atoms (O=C—O) is 121.24 (9)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds and C—H...π interactions. The packing features wavy chains that extend parallel to [001].

scholarly journals Crystal structure of 3-benzyl-1-[(cyclohexylidene)amino]thiourea

2015 ◽  
Vol 71 (12) ◽  
pp. o933-o934
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Alaa A. Hassan ◽  
Ahmed T. Abdel-Aziz ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Chair Conformation ◽  
Hydrogen Bond Interaction ◽  
Compound C ◽  
Bond Interaction ◽  
Ring Motif

The conformation of the title compound, C14H19N3S, is partially determined by an intramolecular N—H...N hydrogen-bond interaction, although the N—H...N angle of 108° is quite small. The cyclohexylidene ring has a chair conformation and its mean plane is inclined to the benzene ring by 46.30 (8)°. In the crystal, molecules are linked by pairs of N—H...S hydrogen bonds, forming inversion dimers, with anR22(8) ring motif. The dimers are reinforced by pairs of C—H...S hydrogen bonds, and are linked by further weak C—H...S hydrogen bonds, forming chains propagating along [100].

scholarly journals Crystal structure of 2-(4-tert-butylphenyl)-3-hydroxy-4H-chromen-4-one

2015 ◽  
Vol 71 (7) ◽  
pp. 824-826 ◽  
Author(s):  
Fuka Narita ◽  
Akihiro Takura ◽  
Takashi Fujihara
Keyword(s):  
Crystal Structure ◽  
Hydrogen Peroxide ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Green Fluorescent ◽  
Ring Motif

Yellow–green fluorescent crystals of the title compound, C19H18O3, were obtained by the reaction of hydroxyacetophenone and 4-tert-butylbenzaldehyde with hydrogen peroxide as oxidant. The plane of the benzene ring is slightly twisted to the mean plane of the 4H-chromene-4-one moiety (r.m.s. deviation = 0.0191 Å) by 10.53 (8)°. In the crystal, molecules are linked by pairs of O—H...O hydrogen bonds, forming inversion dimers with anR22(10) ring motif. The dimers are linkedviaC—H...π interactions, forming sheets parallel to (10-1).

scholarly journals Crystal structure and Hirshfeld surface analysis of 4-allyl-6-bromo-2-(4-chlorophenyl)-4H-imidazo[4,5-b]pyridine

2019 ◽  
Vol 75 (1) ◽  
pp. 43-48
Author(s):  
Selma Bourichi ◽  
Youssef Kandri Rodi ◽  
Tuncer Hökelek ◽  
Amal Haoudi ◽  
Catherine Renard ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyridine Ring ◽  
Ring System ◽  
Hirshfeld Surface ◽  
Stacking Interactions ◽  
Compound C ◽  
Ring Motif

The title compound, C15H11BrClN3, is built up from a planar imidazo[4,5-b]pyridine unit linked to phenyl and allyl substituents. The allyl substituent is rotated significantly out of the imidazo[4,5-b]pyridine plane, while the benzene ring is inclined by 3.84 (6)° to the ring system. In the crystal, molecules are linked via a pair of weak intermolecular C—H...N hydrogen bonds, forming an inversion dimer with an R 2 2(20) ring motif. The dimers are further connected by π–π stacking interactions between the imidazo[4,5-b]pyridine ring systems [centroid–centroid distances = 3.7161 (13) and 3.8478 (13) Å]. The important contributions to the Hirshfeld surface are H...H (35.9%), H...Cl/Cl...H (15.0%), H...C/C...H (12.4%), H...Br/Br...H (10.8%), H...N/N...H (7.5%), C...Br/Br...C (5.9%), C...C (5.5%) and C...N/N...C (4.0%) contacts.

scholarly journals Crystal structure of 2-cyano-N-(furan-2-ylmethyl)-3-(3-nitrophenyl)propanamide

2015 ◽  
Vol 71 (8) ◽  
pp. o568-o569
Author(s):  
Shivanna Subhadramma ◽  
Budanur Papaiah Siddaraju ◽  
Naveen Chandra ◽  
Janardhanan Saravanan ◽  
Dasararaju Gayathri
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Oxygen Atom ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Furan Ring ◽  
Compound C ◽  
Ring Motif

In the title compound, C15H11N3O4, the acetamide group is inclined to the furan ring by 66.5 (1)°. The dihedral angle between the furan ring and the benzene ring is 66.8 (1)°. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linkedviatwo pairs of C—H...O hydrogen bonds to the same acceptor oxygen atom, enclosingR21(6) ring motifs, forming chains along the [101] direction.

3-(3-Methoxyanilino)isobenzofuran-1(3H)-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4296-o4297
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Intermolecular Hydrogen Bonds ◽  
Π Interactions ◽  
Compound C

The crystal structure of the title compound, C15H13NO3, is stabilized by inversion-related N—H...O and C—H...O intermolecular hydrogen bonds and C—H...π interactions. The N—H...O hydrogen bonds generate two C(6) chains, one within the other, and these chains are linked by C—H...O intermolecular hydrogen bonds forming R 4 4(21) ring motifs. The phthalide part of the molecule is planar, and the dihedral angle between the phthalide group and the other benzene ring is 62.81 (8)°.

scholarly journals 2-Chloro-4-(3,3-dichloroallyloxy)-1-nitrobenzene

2012 ◽  
Vol 68 (6) ◽  
pp. o1598-o1598
Author(s):  
Xiao-feng Yu ◽  
Zheng-jun Xia ◽  
Chun-ya Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C

In the crystal structure of the title compound, C9H6Cl3NO3, molecules are connected by C—H...O hydrogen bonds, forming chains along the b axis. The dihedral angle between the benzene ring and the plane of the nitro group is 16.2 (1)° and that between the benzene ring and the plane of the dichloroallyl group is 10.2 (1)°.

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