scholarly journals N-{2-[2-(5-Methyl-1H-pyrazol-3-yl)acetamido]phenyl}benzamide monohydrate

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Karim Chkirate ◽  
Joel T. Mague ◽  
Nada Kheira Sebbar ◽  
Younes Ouzidan ◽  
El Mokhtar Essassi
Keyword(s):  
Hydrogen Bond ◽  
Water Molecule ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Pyrazole Derivative ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title compound, C19H18N4O2·H2O, comprises the U-shaped pyrazole derivative and a solvent water molecule. The molecular conformation is partly determined by an intramolecular N—H...O hydrogen bond. The crystal packing is directed by an extensive network of O—H...O, N—H...O, N—H...N and C—H...O hydrogen bonds together with C—H...π(ring) contacts that generate a three-dimensional network.

scholarly journals 9-Phenyl-4,5-diaza-9H-fluoren-9-ol monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. o1817-o1817
Author(s):  
Guo-Jie Yin ◽  
Gang-Bin Yang ◽  
Shi-Min Wang
Keyword(s):  
Phenyl Ring ◽  
Organic Molecules ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Compound C ◽  
Dimensional Network

The title compound, C17H12N2O·H2O, was synthesized by the reaction of 4,5-diazafluoren-9-one with a Grignard reagent in ether (the reaction mixture being hydrolysed with saturated NH4Cl solution), and crystallizes with two organic molecules and two water molecules in the asymmetric unit. The 4,5-diazafluorene fragment is approximately planar, with r.m.s. deviations of 0.0448 and 0.0198 Å in the two molecules. The dihedral angles between the 4,5-diazafluorene planes and the phenyl ring are 80.49 (6) and 76.57 (7)°. The crystal packing features O—H...N and O—H...O hydrogen bonds involving the bridging solvent water molecules, which link the molecules into a three-dimensional network.

(2R,2′S)-2,2′-(Ethane-1,2-diyldiiminio)bis(butane-2,1-diyl) disulfate dihydrate

2007 ◽  
Vol 63 (3) ◽  
pp. o1095-o1096
Author(s):  
Guo-Yi Bai ◽  
Chen-Fang Zhang ◽  
Jim Simpson ◽  
Yong Chen ◽  
Hong-Wei Peng
Keyword(s):  
Crystal Structure ◽  
Sulfuric Acid ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Solvent Water ◽  
Compound C ◽  
Dimensional Network ◽  
Concentrated Sulfuric Acid

The title compound, C10H28N2O10S2, was synthesized by the reaction of concentrated sulfuric acid with (R,S)-ethambutol. The zwitterionic amino–sulfate system, protonated at both N atoms, lies about a centre of symmetry. The asymmetric unit also contains a solvent water molecule. In the crystal structure, intermolecular O—H...N and N—H...O hydrogen bonds link the molecules into a three-dimensional network.

(E)-1-[4-(2,4-Dihydroxybenzylideneamino)phenyl]ethanone sesquihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4457-o4457 ◽  
Author(s):  
Arzu Özek ◽  
Çiğdem Albayrak ◽  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Organic Molecule ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Dimensional Network ◽  
Ring Motif

The asymmetric unit of the title compound, C15H13NO3·1.5H2O, consists of one ethanone molecule, one water molecule and one half-molecule of water. The organic molecule is a phenol–imine tautomer, as evidenced from C—O, C—N and C—C bond lengths and it is stabilized by an intramolecular O—H...N hydrogen bond which generates an S(6) ring motif. It is nearly planar, with a dihedral angle of 1.40 (10)° between the two aromatic rings. Molecules are linked by three intermolecular O—H...O hydrogen bonds, forming dimers, and are further linked by C—H...π interactions, forming a three-dimensional network.

scholarly journals Bis(3-azaniumylpropyl)azanium hexachloridobismuthate(III) monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. m666-m666 ◽  
Author(s):  
Nizar Elfaleh ◽  
Hassen Chouaib ◽  
Slaheddine Kamoun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title compound, (C6H20N3)[BiCl6]·H2O, consists of a triprotonated bis(3-azaniumylpropyl)azanium cation, two halves of an octahedral [BiCl6]3−anion, each of the BiIIIatoms lying on an inversion centre, and a water molecule. In the crystal, the anions and water molecules are linked by O—H...Cl hydrogen bonds, forming chains running parallel to [0-11]. The anionic chains and the cations are further linked into a three-dimensional network by N—H...Cl and N—H...O hydrogen-bond interactions.

scholarly journals (E)-N′-(3,4-Dimethoxybenzylidene)nicotinohydrazide monohydrate

2014 ◽  
Vol 70 (7) ◽  
pp. o793-o794 ◽  
Author(s):  
J. Josephine Novina ◽  
G. Vasuki ◽  
M. Suresh ◽  
M. Syed Ali Padusha
Keyword(s):  
Hydrogen Bond ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Axis Direction ◽  
Solvent Water ◽  
Compound C ◽  
Dimensional Network

In the title hydrated compound, C15H15N3O3·H2O, the nicotinohydrazide molecule adopts atransconformation with respect to the C=N double bond. The dihedral angle between the benzene and pyridine rings is 5.10 (14)°. In the crystal, the solvent water molecule acts as an acceptor, forming an N—H...O hydrogen bond supported by two C—H...O contacts. It also acts as a donor, forming bifurcated O—H...(O,O) and O—H...N hydrogen bonds that combine with the former contacts to form zigzag chains of molecules along thec-axis direction. An additional O—H...O donor contact completes a set of six hydrogen bonds to and from the water molecule and connects it to a third nicotinohydrazide molecule. This latter contact combines with weaker C—H...O hydrogen bonds supported by a C—H...π contact to stack molecules alongbin a three-dimensional network.

scholarly journals 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m75-m75 ◽  
Author(s):  
Marwa Mghandef ◽  
Habib Boughzala
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Organic Cations ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hybrid Compound ◽  
Organic Hybrid ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title inorganic–organic hybrid compound, (C10H16N2O)[CoCl4]·H2O, consists of a tetrahedral [CoCl4]2−anion, together with a [C10H18N2O]2+cation and a water molecule. Crystal cohesion is achieved through N—H...Cl, O—H...Cl and N—H...O hydrogen bonds between organic cations, inorganic anions and the water molecules, building up a three-dimensional network.

N′-(4-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide monohydrate

2007 ◽  
Vol 63 (3) ◽  
pp. o1119-o1120 ◽  
Author(s):  
Xue-Fang Shi ◽  
Lei He ◽  
Guo-Zhun Ma ◽  
Cui-Cui Yuan
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Crystal Packing ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Compound C

The asymmetric unit of the title compound, C14H13N3O3·H2O, contains one molecule of N′-(4-hydroxy-3-methoxybenzylidene)isonicotinohydrazide and one solvent water molecule. The crystal packing is stabilized by O—H...N and O—H...O hydrogen bonds.

scholarly journals Methyl 2-(thiophene-2-carboxamido)benzoate

2012 ◽  
Vol 68 (6) ◽  
pp. o1765-o1765 ◽  
Author(s):  
Durga Prasad Singh ◽  
Seema Pratap ◽  
Ray J. Butcher ◽  
Sushil K. Gupta
Keyword(s):  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Methyl Anthranilate ◽  
Compound C ◽  
Dimensional Network

The title compound, C13H11NO3S, was synthesized from methyl anthranilate, triethylamine and 2-thiophenoyl chloride in benzene. The molecular conformation is stabilized by an intramolecular N—H...O hydrogen bond. The dihedral angle between the rings is 2.74 (12)°. In the crystal, C—H...O interactions link neighbouring molecules into a three-dimensional network.

scholarly journals Crystal structure of 2-[9-(2-hydroxyphenyl)-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetic acid

2015 ◽  
Vol 71 (12) ◽  
pp. o963-o964 ◽  
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omyma A. Abd Allah ◽  
Asmaa H. A. Tamam ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Acetic Acid ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Dihydropyridine Ring ◽  
Twisted Boat ◽  
Phenol Ring

The title compound, C21H21NO5, crystallizes with two molecules in the asymmetric unit. In each molecule, the central 1,4-dihydropyridine ring adopts a shallow sofa conformations (with the C atom bearing the phenol ring as the flap), whereas the pendant cyclohexene rings both have twisted-boat conformations. Each molecule features an intramolecular O—H...O hydrogen bond, which closes anS(8) ring. In the crystal, the molecules are linked by O—H...O, C—H...O and C—H...π interactions, forming a three-dimensional network.

scholarly journals Crystal structure and Hirshfeld surface analysis of (Z)-2-amino-4-(2,6-dichlorophenyl)-5-(1-hydroxyethylidene)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile

2021 ◽  
Vol 77 (9) ◽  
Author(s):  
Farid N. Naghiyev ◽  
Anastasiya V. Pavlova ◽  
Victor N. Khrustalev ◽  
Mehmet Akkurt ◽  
Ali N. Khalilov ◽  
...  
Keyword(s):  
Pyridine Ring ◽  
Molecular Conformation ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Bond Forming ◽  
Compound C ◽  
Dimensional Network

The molecular conformation of the title compound, C20H15Cl2N3O2, is stabilized by an intramolecular O—H...O hydrogen bond, forming an S(6) ring motif. The central pyridine ring is almost planar [maximum deviation = 0.074 (3) Å]. It subtends dihedral angles of 86.10 (15) and 87.17 (14)°, respectively, with the phenyl and dichlorophenyl rings, which are at an angle of 21.28 (15)° to each other. The =C(—OH)CH3 group is coplanar. In the crystal, molecules are linked by intermolecular N—H...N and C—H...N hydrogen bonds, and N—H...π and C—H...π interactions, forming a three-dimensional network. The most important contributions to the crystal packing are from H...H (33.1%), C...H/H...C (22.5%), Cl...H/H...Cl (14.1%), O...H/H...O (11.9%) and N...H/H...N (9.7%) interactions.

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