3-(Adamantan-1-yl)-4-phenyl-1-[(4-phenyl­piperazin-1-yl)meth­yl]-1H-1,2,4-triazole-5(4H)-thione

The title mol­ecule, C29H35N5S, displays a chair-shaped piperazine ring, as well as an approximately planar triazole ring (r.m.s. deviation = 0.001 Å) whose phenyl substituent is nearly perpendicular to the mean plane of the five-membered ring [dihedral angle = 88.9 (1)°]. The substituents on the piperazine ring occupy equatorial sites. In the crystal, the adamantyl cage is disordered over two sets of sites with a major component of 67.8 (5)%. Weak inter­molecular C—H⋯S hydrogen bonding is present in the crystal

Ethyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]meth­yl}piperazine-1-carboxyl­ate

The title mol­ecule, C26H35N5O2S, displays a chair-shaped piperazine ring, as well as a planar triazole ring whose phenyl substituent is perpendicular to the mean plane of the five-membered ring [dihedral angle = 90.00 (13)°]. The methyl­ene substituent on the piperazine ring occupies an equatorial site. Weak inter­molecular C—H⋯O hydrogen bonding is present in the crystal structure. The crystal studied was a non-merohedral twin, with a 33.9 (3)% minor component

3-(Adamantan-1-yl)-1-[(4-benzyl­piperazin-1-yl)meth­yl]-4-phenyl-1H-1,2,4-triazole-5(4H)-thione

The title mol­ecule, C30H37N5S, displays a chair-shaped piperazine ring, as well as an approximately planar triazole ring [maximum deviation = 0.002 (2) Å] whose phenyl substituent is nearly perpendicular to the mean plane of the five-membered ring [dihedral angle = 80.4 (1)°]. The substit­uents on the piperazine ring occupy equatorial sites. Weak inter­molecular C—H⋯S hydrogen bonding is present in the crystal structure

Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S

C14H12N4O3S, monoclinic, P21/n (no. 14), a = 12.2777(3) Å, b = 9.4312(2) Å, c = 12.9412(2) Å, β = 107.945(2)°, V = 1425.61(5) Å3, Z = 4, R gt (F) = 0.0305, wR ref (F 2) = 0.0837, T = 160 K. CCDC no.: 2059188 The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters

Crystal structure of 4-chloro-<i>N</i>′-[(1<i>E</i>)-pyridin-3-ylmethylidene]benzohydrazide, C₁₃H₁₀ClN₃O

C13H10ClN3O, monoclinic, P21/c (no. 14), a = 19.0933(2) Å, b = 23.0910(3) Å, c = 10.6831(2) Å, β = 90.064(1)°, V = 4710.00(12) Å3, Z = 16, R gt (F) = 0.0411, wR ref (F 2) = 0.1081, T = 160 K. CCDC no.: 223377

Anonymisation of geographical distance matrices via Lipschitz embedding

BACKGROUND: Anonymisation of spatially referenced data has received increasing attention in recent years. Whereas the research focus has been on the anonymisation of point locations, the disclosure risk arising from the publishing of inter-point distances and corresponding anonymisation methods have not been studied systematically. METHODS: We propose a new anonymisation method for the release of geographical distances between records of a microdata file-for example patients in a medical database. We discuss a data release scheme in which microdata without coordinates and an additional distance matrix between the corresponding rows of the microdata set are released. In contrast to most other approaches this method preserves small distances better than larger distances. The distances are modified by a variant of Lipschitz embedding. RESULTS: The effects of the embedding parameters on the risk of data disclosure are evaluated by linkage experiments using simulated data. The results indicate small disclosure risks for appropriate embedding parameters. CONCLUSION: The proposed method is useful if published distance information might be misused for the re-identification of records. The method can be used for publishing scientific-use-files and as an additional tool for record-linkage studies

Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5

C18H18N4O5, monoclinic, P21/c (no. 14), a = 11.7553(8) Å, b = 6.4876(4) Å, c = 22.3442(15) Å, β = 91.263(7)°, V = 1703.64(19) Å3, Z = 4, Rgt (F) = 0.0531, wRref (F 2) = 0.1376, T = 160 K. CCDC no.: 2173380 The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters

Crystal structure of 4-chloro-<i>N</i>′-[(1<i>E</i>)-(2-nitrophenyl)methylidene]benzohydrazide, C₁₄H₁₀ClN₃O₃

C14H10ClN3O3, triclinic, P1 (no. 1), alpha = 4.8813(2) angstrom, b = 6.7806(2) angstrom, c = 10.3135(2) angstrom, alpha = 98.101( 2)degrees, ss = 94.174( 2)degrees,gamma= 97.612( 3)degrees, V = 333.515(18) angstrom(3), Z = 1, R-gt(F) = 0.0270, wR(ref) (F-2 )= 0.0743, T = 160 K

Crystal structure of N-ethyl-4-[3-(trifluoromethyl)-phenyl]piperazine-1-carbothioamide, C14H18F3N3S

C14H18F3N3S, monoclinic, P2(1)/c (no. 14), a = 4.61919(4) angstrom, b = 29.1507(3) angstrom, c = 11.27803(10) angstrom, beta = 94.4768(8)degrees, V = 1513.99(3) angstrom(3), Z = 4, R- gt (F) = 0.0588, wR( ref )(F-2) = 0.1579, T = 160 K