scholarly journals N-(3-Bromo-2-methylphenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

2012 ◽  
Vol 68 (4) ◽  
pp. o1134-o1134 ◽  
Author(s):  
Yun-Hua Xu ◽  
Sihui Long
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Amide Group ◽  
Compound C ◽  
Planar Conformation

The title compound, C13H11BrN2O2, consists of two six-membered rings linked by an amide group and adopts a near planar conformation. The dihedral angle between the two rings is 8.38 (11)°. In the crystal structure, there are intra- and intermolecular N—H...O hydrogen bonds, the latter forming inversion dimers.

scholarly journals Crystal structure of 4-(2,2-dimethylpropanamido)pyridin-3-ylN,N-diisopropyldithiocarbamate

2014 ◽  
Vol 70 (9) ◽  
pp. o1069-o1070 ◽  
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Mohammed Baashen ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Amide Group ◽  
Compound C ◽  
Dithiocarbamate Group

In the title compound, C17H27N3OS2, the amide group is approximately coplanar with the pyridine ring [dihedral angle = 1.6 (1)°], whereas the dithiocarbamate group is nearly perpendicular to the pyridine ring [dihedral angle = 76.7 (1)°]. In the crystal, pairs of weak C—H...O hydrogen bonds link the molecules into inversion dimers.

scholarly journals Crystal structure of an aryl cyclohexyl nonanoid, an antiproliferative molecule isolated from the spiceMyristica malabarica

2016 ◽  
Vol 72 (10) ◽  
pp. 1408-1411 ◽  
Author(s):  
Ajoy Kumar Bauri ◽  
Sabine Foro ◽  
Nhu Quynh Nguyen Do
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
One Dimensional ◽  
Compound C ◽  
Planar Conformation ◽  
Ribbon Structures ◽  
Hydroxy Groups

The title compound, C21H26O5, an aryl cyclohexyl nonanoid {systematic name: 3,5-dihydroxy-2-[9-(4-hydroxyphenyl)nonanoyl]cyclohexa-2,4-dien-1-one}, extracted from the spice plantMyristica malabaricacomprises two ring components, a 4-hydroxyphenyl moiety and a 3,5-dihydroxycyclohexa-2,4-dienone moiety linked by a nonanoyl chain. The molecule has an extended essentially planar conformation stabilized by an intramolecular hydroxy O—H...Ocarbonylhydrogen bond, giving a dihedral angle between the two ring systems of 6.37 (15)°. The C, O and H atoms associated with one of the hydroxy groups of the cyclohexadienone component are disordered over two sets of sites with site occupancies of 0.6972 and 0.3028. In the crystal, hydroxy O—H...O hydrogen bonds to carbonyl O-atom acceptors form large centrosymmetricR22(36) cyclic dimers, which are further extended into supramolecular one-dimensional ribbon structures along [1-11].

scholarly journals Crystal structure of (Z)-2-hydroxy-N′-(4-oxo-1,3-thiazolidin-2-ylidene)benzohydrazide

2014 ◽  
Vol 70 (11) ◽  
pp. o1167-o1167 ◽  
Author(s):  
Ya Zhang ◽  
Peijuan Li ◽  
Xin Fan ◽  
Longfei Jin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Membered Ring ◽  
Compound C ◽  
Planar Conformation

In the title compound, C10H9N3O3S, the five-membered ring adopts a slightly twisted conformation about the Cm—S (m = methylene) bond. The dihedral angle between this ring and the benzene ring is 7.99 (9)°. A bifurcated intramolecular N—H...(O,S) hydrogen bond helps to establish the near planar conformation of the molecule. In the crystal, molecules are linked by N—H...O and O—H...O hydrogen bonds to generate (001) sheets.

scholarly journals N-(4-Methylphenylsulfonyl)succinamic acid

2012 ◽  
Vol 68 (6) ◽  
pp. o1885-o1885 ◽  
Author(s):  
H. Purandara ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Amide Group ◽  
Compound C ◽  
Succinamic Acid

In the crystal structure of the title compound, C11H13NO5S, the amide C=O and the carboxyl C=O groups of the acid segment orient themselves away from each other. The dihedral angle between the benzene ring and the amide group is 69.0 (2)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into layers parallel to the bc plane.

scholarly journals Crystal structure of (2E)-1-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one

2015 ◽  
Vol 71 (4) ◽  
pp. 424-426
Author(s):  
Peter Mangwala Kimpende ◽  
Ngoc Thanh Nguyen ◽  
Minh Thao Nguyen ◽  
Quoc Trung Vu ◽  
Luc Van Meervelt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Planar Conformation ◽  
The Mean

In the title compound, C20H17NO5, the dihedral angle between the mean plane of the dihydroquinoline ring system (r.m.s. deviation = 0.003 Å) and the benzene ring is 1.83 (11)°. The almost planar conformation is a consequence of an intramolecular O—H...O hydrogen bond and theEconfiguration about the central C=C bond. In the crystal structure, O—H...O hydrogen bonds generate chains of molecules along the [10-1] direction. These chains are linkedviaπ–π interactions [inter-centroid distances are in the range 3.6410 (16)–3.8663 (17) Å].

scholarly journals Crystal structure of 4-fluoro-N-[2-(4-fluorobenzoyl)hydrazine-1-carbonothioyl]benzamide

2014 ◽  
Vol 70 (9) ◽  
pp. o915-o916 ◽  
Author(s):  
Syadza Firdausiah ◽  
Ameera Aqeela Salleh Huddin ◽  
Siti Aishah Hasbullah ◽  
Bohari M. Yamin ◽  
Siti Fairus M. Yusoff
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Amide Group ◽  
Compound C

In the title compound, C15H11F2N3O2S, the dihedral angle between the fluorobenzene rings is 88.43 (10)° and that between the central semithiocarbazide grouping is 47.00 (11)°. The dihedral angle between the amide group and attached fluorobenzene ring is 50.52 (11)°; the equivalent angle between the carbonylthioamide group and its attached ring is 12.98 (10)°. The major twists in the molecule occur about the C—N—N—C bonds [torsion angle = −138.7 (2)°] and the Car—Car—C—N (ar = aromatic) bonds [−132.0 (2)°]. An intramolecular N—H...O hydrogen bond occurs, which generates anS(6) ring. In the crystal, the molecules are linked by N—H...O and N—H...S hydrogen bonds, generating (001) sheets. Weak C—H...O and C—H...F interactions are also observed.

scholarly journals Crystal structure of 2-methylsulfanyl-1-(thiomorpholin-4-yl)ethanone

2015 ◽  
Vol 71 (9) ◽  
pp. o679-o679 ◽  
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Eunjin Kwon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Bond Angle ◽  
Chair Conformation ◽  
Amide Group ◽  
Two Dimensional ◽  
Compound C

In the title compound, C7H13NOS2, the thiomorpholine ring adopts a chair conformation and the bond-angle sum at the N atom is 360°. The dihedral angle between the amide group and the thiomorpholine ring (all atoms) is 36.48 (12)°. In the crystal, C—H...O and C—H...S hydrogen bonds link adjacent molecules, forming two-dimensional networks extending parellel to the (011) plane.

scholarly journals N-(5-Chloro-1,3-thiazol-2-yl)-2,4-difluorobenzamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1857-o1857 ◽  
Author(s):  
Xi-Wang Liu ◽  
Jian-Yong Li ◽  
Han Zhang ◽  
Ya-Jun Yang ◽  
Ji-Yu Zhang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Benzoyl Chloride ◽  
Bond Lengths ◽  
Compound C

The title compound, C10H5ClF2N2OS, was obtained by linking an amino heterocycle and a substituted benzoyl chloride. The dihedral angle between the two rings is 41.2 (2)° and the equalization of the amide C—N bond lengths reveals the existence of conjugation between the benzene ring and the thiazole unit. In the crystal, pairs of N—H...N hydrogen bonds link molecules into inversion dimers. Non-classical C—H...F and C—H...O hydrogen bonds stabilize the crystal structure.

scholarly journals Crystal structure of 5,10,15-triphenyl-20-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)porphyrin

2014 ◽  
Vol 70 (10) ◽  
pp. o1085-o1086
Author(s):  
Mathias O. Senge ◽  
Hans-Georg Eckhardt
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Central Region ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
Porphyrin Macrocycle ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C44H37BN4O2, the dihedral angle between the plane of the porphyrin macrocycle ring system [r.m.s. deviation = 0.159 (1) Å] and those of three phenyl rings are 66.11 (4), 74.75 (4) and 57.00 (4)°. The conformational distortion is characterized by a mixture of ruffled, saddle and in-plane distortion modes. In the crystal, the porphyrin molecules are linked by C—H...π interactions into supramolecular chains running along thea-axis direction. A pair of bifurcated N—H...(N,N) hydrogen bonds occur across the central region of the macrocycle.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

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