scholarly journals 4-Amino-2,3,5-trimethylpyridine monohydrate

2009 ◽  
Vol 65 (6) ◽  
pp. o1329-o1329
Author(s):  
Li-Yan Dai ◽  
Fu-Liang Zhang ◽  
Liang Shen ◽  
Ying-Qi Chen
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Large Ring ◽  
Compound C ◽  
Dimensional Network

In the title compound, C8H12N2·H2O, four substituted pyridine molecules alternate with four water molecules, forming a large ringviaOwater—H...Npyridineand Namine—H...Owaterhydrogen bonding. Adjacent rings are connectedviaOwater—H...Owaterhydrogen-bonds, forming a three-dimensional network.

scholarly journals 2-Thioureido-1H-benzimidazol-3-ium chloride monohydrate

2014 ◽  
Vol 70 (5) ◽  
pp. o553-o553
Author(s):  
C. N. Sundaresan ◽  
Dheeraj Kumar Singh ◽  
Jagadeesh Babu Nanubolu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Water Molecules ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean ◽  
Chloride Monohydrate

In the title compound, C8H9N4S+·Cl−·H2O, the cation is approximately planar, with a dihedral angle of 7.71 (8)° between the mean planes of the benzoimidazole ring system and the thiourea unit. In the crystal, cations, anions and water molecules of crystallization are linked by O—H...Cl, N—H...O, N—H...Cl and N—H...S hydrogen bonds into a three-dimensional network. π–π stacking is observed between the benzene and imidazole rings of neighbouring molecules, the centroid–centroid distance being 3.5774 (11) Å.

scholarly journals (3aR*,8bR*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one

2014 ◽  
Vol 70 (3) ◽  
pp. o279-o280
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
R. Ranjith Kumar ◽  
V. Jeyachandran ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules ◽  
Hydroxy Groups

The asymmetric unit of the title compound, C19H16N2O5S, contains four independent molecules (A,B,CandD), with two molecules (BandD) displaying disorder in their methylsulfanyl groups [occupancy ratios of 0.797 (11):0.203 (11) and 0.85 (2):0.15 (2)]. The nitro groups are twisted slightly out of the planes of the 2-pyrroline rings to which they are bonded with dihedral angles of 10.17 (1), 8.01 (1), 9.44 (1) and 8.87 (1)° in moleculesA,B,CandD, respectively. The 2-pyrroline rings are almost orthogonal to the attached tolyl rings, forming dihedral angles of 73.44 (1), 81.21 (1), 88.18 (8) and 73.94 (1)° for moleculesA,B,CandD, respectively. A weak intramolecular O—H...O interaction is observed in moleculesBandC. The two hydroxy groups in each molecule are involved in intermolecular O—H...O hydrogen bonding. In the crystal, molecules are connectedviaO—H...O and C—H...O hydrogen bonds, forming a complex three-dimensional network.

scholarly journals 2,3,9,10,15,16-Hexaazatetracyclo[6.6.2.04,16.011,15]hexadecane dihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2545-o2545
Author(s):  
Fiona N.-F. How ◽  
Z. A. Rahima ◽  
Yee Seng Tan ◽  
S. Nadiah Abdul Halim ◽  
Seik Weng Ng
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Compound C ◽  
Dimensional Network

The four six-membered fused rings in the title compound, C10H20N6·2H2O, adopt chair conformations; the H atoms of the four secondary N atoms occupy axial positions. Hydrogen bonds of the types N—H...N, N—H...O and O—H...N link the organic and water molecules into a three-dimensional network.

3β,5α,15α-Trihydroxy-5-androsten-17-one dihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. o4445-o4445 ◽  
Author(s):  
Wei Zhou ◽  
Guo-Hong Wang ◽  
Wei-Xiao Hu ◽  
Chun-Nian Xia
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Water Molecules ◽  
Envelope Conformation ◽  
Compound C ◽  
Steroid Skeleton

In the steroid skeleton of the title compound, C19H28O4·2H2O, ring A assumes a slightly twisted chair conformation, ring C adopts a regular chair conformation, ring B adopts a half-chair conformation and ring D has a somewhat twisted envelope conformation. The crystal packing exhibits an extensive three-dimensional hydrogen-bonding network, formed by intermolecular O—H...O hydrogen bonds between the steroid and water molecules.

scholarly journals Tetraquinolinium ditelluro(VI)octavanadate(V) octahydrate

2013 ◽  
Vol 69 (11) ◽  
pp. m595-m596
Author(s):  
Sirine Toumi ◽  
Samah Akriche Toumi ◽  
Mohamed Rzaigui
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Stacking Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Water Hydrogen

In the title compound, (C9H8N)4[Te2V8O28]·8H2O, the complete heteropolyanion is generated by a crystallographic inversion centre. One of the two quniolinium ions forms an N—H...Op(p = polyoxidometallate) hydrogen bond and the other an N—H...Ow(w = water) hydrogen bond. The water molecules further link the components by O—H...Opand O—H...Owhydrogen bonds. A number of C—H...O interactions and aromatic π–π stacking interactions [shortest centroid–centroid separation = 3.541 (7) Å] are also observed. Together, these generate 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 2-Amino-3-carboxypyrazin-1-ium perchlorate bis(2-aminopyrazin-1-ium-3-carboxylate) monohydrate

2012 ◽  
Vol 68 (6) ◽  
pp. o1714-o1715
Author(s):  
Fadila Berrah ◽  
Sofiane Bouacida ◽  
Ahlem Bouhraoua ◽  
Thierry Roisnel
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Different Types

The asymmetric unit of the title compound, C5H6N3O2 +·ClO4 −·2C5H5N3O2·H2O, comprises two symmetry-independent zwitterions, one cation, one perchlorate anion and one water molecule. In the crystal, the three different types of organic entities are linked by N—H...O and N—H...N hydrogen bonds, forming undulating sheets parallel to (1-10). These sheets are in turn connected by O—H...N and O—H...O hydrogen bonds involving perchlorate anions and water molecules, forming a three-dimensional network. Intramolecular N—H...O and weak intermolecular C—H...O hydrogen bonds are also present.

scholarly journals N′-Benzylidene-2-({5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide hemihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Etify A. Bakhite ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Organic Molecules ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The title compound, C24H20ClN5O2S·0.5H2O, has three independent molecules in the asymmetric unit and two water molecules of crystallization, one of which is equally disordered over two sites. The three unique organic molecules differ in the conformations of the substituents on the pyrazole ring. In the crystal, extensive O—H...O, O—H...N, N—H...O and C—H...O hydrogen bonding generates a three-dimensional network and C—H...π interactions are also observed.

scholarly journals 7′-Amino-1′H-spiro[cycloheptane-1,2′-pyrimido[4,5-d]pyrimidin]-4′(3′H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2546-o2546
Author(s):  
Shu Chen ◽  
Daxin Shi ◽  
Mingxing Liu ◽  
Jiarong Li
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network

The title compound, C12H17N5O, was obtained by cyclocondensation of 2,4-diaminopyrimidine-5-carbonitrile with cycloheptanone. The tetrahydropyrimidine ring has a distorted boat conformation and the cycloheptane ring adopts a chair conformation. In the crystal, molecules are linkedviaN—H...O and N—H...N hydrogen bonds generating a three-dimensional network.

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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