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1.  1,3-Phenylenediammonium dinitrate 
In the title compound, C6H10 N2·2(NO3), the isophthalic unit is diprotonated and the structure consists of one and one half dications and three nitrate anions. The half dication was found to sit on a crystallographic 2-fold rotation axis. The nitrates are bonded to the cationic unit though N—H⋯O hydrogen bonds, and are found to bridge two adjacent cations, forming a chain along the a axis.
PMCID: PMC2971349  PMID: 21578220
2.  {4-Phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazidato}{4-phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide}nickel(II) chloride monohydrate 
PMCID: PMC2872247  PMID: 20485534
single-crystal X-ray study; T = 90 K; mean σ(C–C) = 0.003Å; disorder in solvent or counterion; R factor = 0.034; wR factor = 0.081; data-to-parameter ratio = 23.6
3.  3,6,9,16,19,22-Hexaazatricyclo-[, 14]triaconta-1(27),11 (30),-12,14(29),24(28),25-hexaene hexakis(p-toluenesulfonate) dihydrate 
In the title compound, C24H44N66+·6C7H7O3S−·2H2O, the macrocycle crystallizes in its hexaprotonated form, accompanied by six p-toluenesulfonate ions and two water molecules, and lies on an inversion center. The three independent p-toluenesulfonate anions and their inversion equivalents at (1 − x, 1 − y, 1 − z) are linked to the macrocyclic cation through N–H⋯O hydrogen bonds. Of these, two p-toluenesulfonate ions are located on opposite sides of the macrocyclic plane and are linked to bridgehead N atoms via N–H⋯O hydrogen bonds. The remaining four p-toluenesulfonate ions bridge two adjacent macrocyclic cationic units through N–H⋯O hydrogen bonding involving other N atoms, forming a chain along the a axis. The water molecules, which could not be located and may be disordered, do not interact with the macrocycle; however, they form hydrogen bonds with anions.
PMCID: PMC2822386  PMID: 20165564
single-crystal X-ray study; T = 90 K; mean σ(C–C) = 0.008 Å; H-atom completeness 96%; R factor = 0.072; wR factor = 0.156; data-to-parameter ratio = 16.2
4.  The highly saddled diacid salt of octaethyltetraphenylporphyrin-[H4OETPP] 2Cl 
The title compound, [H4OETPP] 2 C 1, displays a highly S4-saddled porphyrin core with the β-carbon atoms displaced 1.23 (9) Å out of the four-nitrogen plane. All nitrogen atoms are protonated and form hydrogen bonds with chloride anions.
PMCID: PMC2710851  PMID: 19609368
5.  Diethyl [2,2,2-trifluoro-1-phenyl-sulfonylamino-1-(trifluoromethyl)-ethyl]phosphonate 
PMCID: PMC2600860  PMID: 19079747
single-crystal X-ray study; T = 113 K; mean σ(C-C) = 0.002 Å; R factor = 0.029; wR factor = 0.083; data-to-parameter ratio = 18.6
6.  L-(+)-Bornesitol 
The structure of the title compound, C7H14O6, one natural myo-inositol derivative has been determinaded. Average atom distances, bond lengths and dihedral angles are similar to myo-inositol.
PMCID: PMC2582817  PMID: 19011691
7.  A cytochrome b model, [Fe(TPP)(4-MeHIm)2][K(222-cryptand)]2Cl2 
PMCID: PMC2361390  PMID: 18449359
Single-crystal X-ray study; T = 100 K; Mean σ(C-C) = 0.002 Å; R factor = 0.043; wR factor = 0.128; Data-to-parameter ratio = 38.7
8.  Dichlorobis(1-ethylimidazole)zinc(II) 
The Zn atom in the structure of the title compound, [ZnCl2(C5N2H8)2], exhibits a distorted tetrahedral geometry and is coordinated by two Cl and two N atoms, with Zn—Cl distances of 2.2519 (2) and 2.2531 (2) Å, and Zn—N distances of 1.9998 (7) and 2.0087 (7) Å. The angles Cl—Zn—Cl and N—Zn—N are 114.742 (9) and 108.50 (3)°, respectively.
PMCID: PMC2174786  PMID: 18176628
9.  (1R,2S)-Benzyl N-[3-(diisopropylaminocarbonyl)-2-phenylprop-3-enyl]carbamate 
The title compound, C25H32N2O3, was synthesized as part of a series of related compounds using a modified Eschenmoser–Claisen rearrangement reaction. The compound is racemic and the structure features a centrosymmetric hydrogen-bonded dimerization along with some aromatic stacking stabilization.
PMCID: PMC1950127  PMID: 17710225
Single-crystal X-ray study; T = 293 K; Mean σ(C–C) = 0.004 Å; R factor = 0.049; wR factor = 0.143; Data-to-parameter ratio = 15.8
10.  4-{N-[2-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-3-phenylpropionyl]anilino}-1-phenethylpiperidinium chloride methanol disolvate 
The structure of the title compound, a fentanyl derivative with formula C36H36N3O3+·Cl−·2CH3OH, crystallizes as a racemic mixture. The organic cation has an extended conformation and the structure displays O–H⋯O, O–H⋯Cl and N–H⋯Cl hydrogen bonding.
PMCID: PMC1785114  PMID: 17268579
Single-crystal X-ray study; T = 173 K; Mean σ(C–C) = 0.006 Å; R factor = 0.067; wR factor = 0.231; Data-to-parameter ratio = 11.5
11.  [N-({(R)-2-[(N-Benzylprolyl)amino]phenyl}-phenylmethylene)-2(S)-(pent-4-enyl)-glycinato]nickel(II) 
The title compound, [Ni(C32H33N3O3)], crystallized as a minor product during the purification of its 2(R)-pent-4-enyl diastereomer. Mixtures of the title compound and its enantiomer self-resolve.
PMCID: PMC1785113  PMID: 17268578
Single-crystal X-ray study; T = 173 K; Mean σ(C–C) = 0.004 Å; Disorder in main residue; R factor = 0.048; wR factor = 0.082; Data-to-parameter ratio = 16.6
12.  Bis (pyridine) (2,3,12,13-tetrabromo-5, 10, 15, 20-tetraphenylporphyrin) iron (II) pyridine solvate 
The title compound, (C44H24Br4N4)(C5H5N)2Fe·C5H5N, is located on a two-fold axis that passes through Fe and the pyridine ligands. Only slight asymmetry, 0.010 Å elongation due to the Br substituents, is seen in the Fe–Np distances. The pyridine ligands are twisted 19.2° from each other.
PMCID: PMC1560092  PMID: 16957782
13.  High-spin [Fe(TTP)(THF)2] 
PMCID: PMC1526459  PMID: 16888653
Single-crystal X-ray study; T = 100 K; Mean σ(C–C) = 0.002 Å; R factor = 0.038; wR factor = 0.102; Data-to-parameter ratio = 25.4

Results 1-13 (13)