scholarly journals Crystal structure of (E)-N-{2-[2-(2-chlorobenzylidene)hydrazin-1-yl]-2-oxoethyl}-4-methylbenzamide monohydrate

2015 ◽  
Vol 71 (7) ◽  
pp. 795-798 ◽  
Author(s):  
H. Purandara ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Torsion Angle ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Ring Motif

The title compound, C17H16ClN3O2·H2O, an acylhydrazone derivative, contains a glycine moiety and two substituted benzene rings on either end of the chain. It crystallized as a monohydrate. The molecules adopt anEconformation with respect to the C=N double bond, as indicated by the N—N=C—C torsion angle of 179.38 (14)°. The molecule is twisted in such a way that the almost planar Car—C(=O)—N(H)—C(H2) and C(H2)—C(=O)N(H)—N=C—Car[r.m.s deviations = 0.009 and 0.025 Å, respectively] segments are inclined to on another by 77.36 (8)°, while the benzene rings are normal to one another, making a dihedral angle of 89.69 (9)°. In the crystal, the water molecule links three molecules through two O—H...O and one N—H...O hydrogen bonds. The molecules are linkedviapairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(14) ring motif. The dimers are linked by O—H...O hydrogen bonds, involving two molecules of water, forming chains along [100], enclosingR22(14) andR22(18) ring motifs. The chains are linked through C—H...O interactions, forming sheets parallel to (010). Within the sheets, there are C—H...π and parallel slipped π–π stacking interactions present [inter-centroid distance = 3.6458 (12) Å].

scholarly journals Crystal structure ofN′-hydroxypyrimidine-2-carboximidamide

2014 ◽  
Vol 70 (10) ◽  
pp. o1107-o1108 ◽  
Author(s):  
Nithianantham Jeeva Jasmine ◽  
Packianathan Thomas Muthiah ◽  
Nithianantham Stanley
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Sheet Structure ◽  
Ring Motif

The title compound, C5H6N4O, is approximately planar, with an angle of 11.04 (15)° between the planes of the pyrimidine ring and the non-H atoms of the carboximidamide unit. The molecule adopts anEconfiguration about the C=N double bond. In the crystal, adjacent molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(10) ring motif. The dimers are further linkedviaN—H...N and O—H...N hydrogen bonds into a sheet structure parallel to theacplane. The crystal structure also features N—H...O and weak C—H...O hydrogen bonds and offset π–π stacking interactions between adjacent pyrimidine rings [centroid–centroid distance = 3.622 (1) Å].

scholarly journals Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure

2014 ◽  
Vol 70 (11) ◽  
pp. 385-388 ◽  
Author(s):  
Ana María Atria ◽  
Maria Teresa Garland ◽  
Ricardo Baggio
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Compound C ◽  
Acidic Proton ◽  
Centroid Distance ◽  
Benzene Rings

The asymmetric unit of the title compound, C8H9NO2·H2O consists of an isolated 4-(ammoniomethyl)benzoate zwitterion derived from 4-aminomethylbenzoic acid through the migration of the acidic proton, together with a water molecule of crystallization that is disordered over three sites with occupancy ratios (0.50:0.35:0.15). In the crystal structure, N—H...O hydrogen bonds together with π–π stacking of the benzene rings [centroid–centroid distance = 3.8602 (18) Å] result in a strongly linked, compact three-dimensional structure.

scholarly journals N-[(2-Chlorophenyl)sulfonyl]-2-methoxybenzamide

2013 ◽  
Vol 69 (11) ◽  
pp. o1716-o1716
Author(s):  
S. Sreenivasa ◽  
B. S. Palakshamurthy ◽  
E Suresha ◽  
J. Tonannavar ◽  
Yenagi Jayashree ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

The title compound, C14H12ClNO4S, crystallizes with two molecules in the asymmetric unit. The dihedral angles between the benzene rings are 89.68 (1) (molecule 1) and 82.9 (1)° (molecule 2). In each molecule, intramolecular N—H...O hydrogen bonds between the amide H atom and the methoxy O atom generateS(6) loops. In the crystal, molecule 2 is linked into inversion dimers through pairs of C—H...O interactions, forming anR22(8) ring motif. Molecules 1 and 2 are further linked along theb-axis direction through C—H...π interactions. The crystal structure is further stabilized by several π–π stacking interactions [centroid–centroid separations = 3.7793 (1), 3.6697 (1) and 3.6958 (1) Å], thus generating a three-dimensional architecture.

Pyrimethaminium nicotinate monohydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4452-o4452 ◽  
Author(s):  
Kasthuri Balasubramani ◽  
Packianathan Thomas Muthiah ◽  
Gabriele Bocelli ◽  
Andrea Cantoni
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Amino Group ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Graph Set ◽  
Ring Motif

In the title compound, C12H14ClN4 +·C6H4NO2 −·H2O, the pyrimethamine molecule is protonated at one of the pyrimidine N atoms. The protonated N atom and 2-amino group of the cation interact with an adjacent nicotinate anion through a pair of N—H...O hydrogen bonds [graph set R 2 2(8)]. The cation, anion and water molecule form a hydrogen-bonded ring motif with graph-set notation R 4 2(8). The crystal structure is further stabilized by N—H...O and O—H...O hydrogen bonds and π–π interactions [centroid–centroid distance = 3.637 (6) Å].

scholarly journals Crystal structure of 2-hydroxyimino-2-(pyridin-2-yl)-N′-[1-(pyridin-2-yl)ethylidene]acetohydrazide

2014 ◽  
Vol 70 (12) ◽  
pp. 584-586
Author(s):  
Maxym O. Plutenko ◽  
Rostislav D. Lampeka ◽  
Matti Haukka ◽  
Ebbe Nordlander
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Amide Group ◽  
Dimensional Structure ◽  
Stacking Interactions ◽  
Oxime Group ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

The molecule of the title compound, C14H13N5O2, is approximately planar (r.m.s deviation for all non-H atoms = 0.093 Å), with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. The oxime group issynto the amide group, probably due to the formation of an intramolecular N—H...N hydrogen bond that forms anS(6) ring motif. In the crystal, molecules are linked by pairs of bifurcated O—H...(O,N) hydrogen bonds, forming inversion dimers. The latter are linkedviaC—H...O and C—H...N hydrogen bonds, forming sheets lying parallel to (502). The sheets are linkedviaπ–π stacking interactions [inter-centroid distance = 3.7588 (9) Å], involving the pyridine rings of inversion-related molecules, forming a three-dimensional structure.

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 2-(2-Chlorobenzoyl)-1-(3,4-dimethoxyphenyl)-3-iodoquinolin-4(1H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Shamantha Kumar ◽  
Chandra ◽  
A. C. Vinayaka ◽  
M. Mahendra ◽  
M. P. Sadashiva ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Methoxy Groups ◽  
Benzene Rings ◽  
Supramolecular Chains

In the title compound C24H17ClINO4, the iodoquinolinyl moiety (r.m.s. deviation = 0.044 Å) makes dihedral angles of 87.44 (10) and 88.64 (10)° with the chloro- and methoxy-substituted benzene rings, respectively. The methoxy groups are present in synperiplanar and antiperiplanar conformations with respect to the benzene ring they are bound to, as indicated by the C—C—O—C torsion angle values of −16.2 (3) and 177.6 (2)°, respectively. The crystal structure features relatively strong methoxybenzene-C—H...O(quinolinyl) hydrogen bonds, leading to helical supramolecular chains along thea-axis direction. Additional C—H...O interactions along with π-stacking [inter-centroid distance = 3.6070 (16) Å between quinolyl-NC5and C6rings] consolidate the three-dimensional molecular packing.

scholarly journals Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde

2016 ◽  
Vol 72 (12) ◽  
pp. 1724-1727
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Stacking Interactions ◽  
Halogen Bonds ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C10H5IO3, an iodinated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0344 Å), with the largest deviation from the least-squares plane [0.101 (3) Å] being found for the formyl O atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene rings = 3.700 (3) Å] and C—H...O hydrogen bonds. Halogen bonds between the I atoms at 7-position and the formyl O atoms [I1...O3 = 3.056 (2) Å, C6—I1...O3 = 173.18 (8)° and I1...O3—C10 = 111.12 (18)°] are also formed along [110], resulting in sheets perpendicular to thecaxis, constructed by C—H...O hydrogen bonds and I...O halogen bonds.

scholarly journals Crystal structure of 4-({(1E,2E)-3-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]allylidene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione

2015 ◽  
Vol 71 (11) ◽  
pp. 1411-1413 ◽  
Author(s):  
Ajaykumar D. Kulkarni ◽  
Md. Lutfor Rahman ◽  
Mashitah Mohd. Yusoff ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Ring Motif

The title compound, C23H22FN5S, exists in atransconformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. 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 linkedviaC—H...π interactions, forming chains along [1-10]. The chains are linkedviaπ—π interactions involving inversion-related triazole rings [centroid–centroid distance = 3.4340 (13) Å], forming layers parallel to theabplane.

scholarly journals Crystal structure of 2-benzylamino-4-p-tolyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. 192-194
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring ◽  
Ring Motif

The title compound, C23H21N3, comprises a 2-amino-3-cyanopyridine ring fused with a cyclopentane ring. The later adopts an envelope conformation with the central methylene C atom as the flap. The benzyl and andp-tolyl rings are inclined to one another by 56.18 (15)°, and to the pyridine ring by 81.87 (14) and 47.60 (11)°, respectively. In the crystal, molecules are linked by pairs of N—H...Nnitrilehydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linked by C—H...π and π–π interactions [centroid–centroid distance = 3.7211 (12) Å], forming a three-dimensional framework.

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