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Cover illustration: \[Cu2{1,4-bis\[(3-methyl-2-pyridyl)amino\]phthalazine-H}(N3)3\] at 40 K, see Goeta et al., pages 1243-1246. Displacement ellipsoids are shown at the 80% probability level. |
Acta Cryst. (1999). C55, IUC9900097 [ doi:10.1107/S0108270199099138 ]
Synopsis: Silver perrhenate is isostructural with scheelite, CaWO4. The Ag+ cation occupies the Ca2+ position and ReO4- lies in the WO42- position.
Formula: AgReO4
Acta Cryst. (1999). C55, IUC9900092 [ doi:10.1107/S0108270199099126 ]
Synopsis: The structure of the title compound, also formulated as Ca2Al(OH)6Br.2H2O, dicalcium aluminium hydroxide bromide dihydrate, is isostructural with the iodide analogue [Rapin, Walcarius, Lefevre & François (1999). Acta Cryst. C55. In the press].
Formula: AlBrCa2H10O8
Acta Cryst. (1999). C55, IUC9900080 [ doi:10.1107/S0108270199099114 ]
Synopsis: The title new tetragonal nickel arsenate is best formulated as Ni0.5-xNi4As3O12-2x(OH)2x (x = 0.15) and corresponds to a hydrated form of Ni4.5As3O12. A unique feature of the structure is a partially filled dodecahedral Ni site with 4 symmetry and long Ni-O bonds [2.300(2) (× 4) and 2.667(2)Å (× 4)].
Formula: Ni4.35As3O11.7(OH)0.3
Acta Cryst. (1999). C55, IUC9900091 [ doi:10.1107/S0108270199099102 ]
Synopsis: The space group of bis(N-ethyl-N-isopropyldithiocarbamato)lead(II), which has been reported as Cc [Trindade et al. (1997). J. Mater. Chem. 7, 1011-1016], is corrected to C2/c. In this setting, the Pb atom lies on a twofold axis which relates one dithiocarbamate group to the other.
Formula: [Pb(C6H12NS2)2]
Acta Cryst. (1999). C55, IUC9900078 [ doi:10.1107/S0108270199099096 ]
-bromo-bis[(N,N,N',N'-tetramethylethylenediamine-N,N')lithium]Synopsis: A redetermination of the
-bromo-(tetramethylethylenediamine-N,N')lithium dimer in a unit cell which has one third the volume of the original determination and which shows no superlattice structuring gives a
well ordered solution.
Formula: [Li2Br2(C6H16N2)2]
Acta Cryst. (1999). C55, IUC9900083 [ doi:10.1107/S0108270199099084 ]
Synopsis: The Pt atom is four-coordinated by two phosphine P atoms and two I atoms and has a distorted square-planar geometry. The Pt-I distances are 2.6570(3) and 2.6591(3)Å, while the Pt-P distances are 2.2262(12) and 2.2347(11)Å.
Formula: [PtI2(C25H22P2)]
Acta Cryst. (1999). C55, IUC9900087 [ doi:10.1107/S0108270199099072 ]
Synopsis: The crystal structure for the title compound was determined at 213 K. The molecule consists of a ferrocene tethered to a carborane through a methylhydroxy bridge which is disordered between two sites.
Formula: [Fe(C5H5)(C8H17B10O)]
Acta Cryst. (1999). C55, IUC9900094 [ doi:10.1107/S0108270199099060 ]
Synopsis: In the structure of the title compound, the triazine ring is planar, and the terminal amino group and one ring N atom form hydrogen bonds with an N-H
N distance of 2.251 Å, to give dimers.
Formula: C5H8N4
Acta Cryst. (1999). C55, IUC9900081 [ doi:10.1107/S0108270199099059 ]
Synopsis: The structures of the title compounds show that these isomers present some specific differences in (i) the orientation of the propargyl group with respect to the tetrazole ring, and (ii) the bond distances and angles of the tetrazole rings.
Formula: C11H10N4 and C11H10N4
Acta Cryst. (1999). C55, IUC9900084 [ doi:10.1107/S0108270199099047 ]
Synopsis: The structure consists of two indole systems and a methylphenyl ring. The phenyl and two indole rings adopt planar conformations. The packing of the molecules in the unit cell is
influenced by the presence of N-H
and C-H
(Cg) interactions (Cg
represents the centroids of the five- and six-membered rings).
Formula: C24H20N2
Acta Cryst. (1999). C55, IUC9900082 [ doi:10.1107/S0108270199099035 ]
Synopsis: The title compound was prepared by the reaction of N,N'-diformylhydrazine and p-phenylenediamine. The X-ray analysis revealed that there is a hydrogen-bond chain composed of water molecules and 1,4-bis(4H-1,2,4-triazol-4-yl)benzene molecules in the crystal. The dihedral angle between the 1,2,4-triazole and substituted-benzene rings is 34.2(2)°.
Formula: C10H8N6H2O
Acta Cryst. (1999). C55, IUC9900093 [ doi:10.1107/S0108270199099023 ]
Synopsis: A low-temperature structure redetermination of the strong triboluminescent compound N-acetylanthranylic acid is described. The molecule is not planar and forms chains in the crystal which are connected by hydrogen bonds of average strength.
Formula: C9H9NO3
Acta Cryst. (1999). C55, IUC9900096 [ doi:10.1107/S0108270199099011 ]
Synopsis: In the title compound, the substituents of the disubstituted
-lactone are in a trans (synclinal) relationship and the heterocyclic ring adopts an envelope conformation. The conformation of the allylic and aroyl groups is elucidated.
Formula: C15H16O3
Acta Cryst. (1999). C55, IUC9900088 [ doi:10.1107/S010827019909900X ]
Synopsis: Crystals of dl-2,4-bis(phenylthio)pentan-3-one, C17H18OS2, are orthorhombic (Iba2). Despite cell parameters that appear orthorhombic, crystals of dl-2,4-bis(2,6-dimethylphenylthio)pentan-3-one, C21H26OS2, are monoclinic (P21/n) and refine as two twinned components (57/43%) that mimic an orthorhombic lattice.
Formula: C17H18OS2 and C21H26OS2
Acta Cryst. (1999). C55, IUC9900085 [ doi:10.1107/S0108270199098996 ]
Synopsis: In the title compounds, C16H19Cl2N3O3 (R1 = H, R2 = COCHMe2), (I), and C20H25Cl2N3O4 (R1 = R2 = COOCHMe2), (II), the imidazolidine rings adopt half-chair conformations. Compound (I) exists in the
imidazolidine form. The dihedral angles between the phenyl and imidazolidine rings are 80.95(6)° for (I), and 66.7(2) and 67.5(2)° for (II). In (I), the glide-related molecules are involved
in N-H
N intermolecular hydrogen bonds.
Formula: C16H19Cl2N3O3 and C20H25Cl2N3O4
Acta Cryst. (1999). C55, IUC9900086 [ doi:10.1107/S0108270199098984 ]
Synopsis: In C10H11Cl2N3O (R1 = H, R2 = CH2OH), (I), and C22H29Cl2- N3O4 (R1 = COCHMe2, R2 = CH2OCOCHMe2), (II), the bonds connecting the phenyl and imidazolidine rings are shorter than that observed in clonidine, indicating increased double-bond character. The imidazolidine rings adopt a half-chair conformation in both structures and the dihedral angles between the imidazolidine and phenyl rings are 86.97(7) and 66.32(6)° in (I), and 62.4(1)° in (II).
Formula: C10H11Cl2N3O and C22H29Cl2N3O4
Acta Cryst. (1999). C55, IUC9900089 [ doi:10.1107/S0108270199098972 ]
Synopsis: The dimeric title compound was isolated from a samarium-io- dide-mediated radical-cascade sequence of methylenecyclo- propyl ketone. The molecule lies about an inversion centre and the X-ray analysis established the stereochemistry.
Formula: C22H34O4
Acta Cryst. (1999). C55, IUC9900090 [ doi:10.1107/S0108270199098960 ]
Synopsis: The title compound was synthesized from (+)-camphor. The absolute configuration was determined using the known configuration of (+)-camphor.
Formula: C18H24N2O4S
Acta Cryst. (1999). C55, IUC9900079 [ doi:10.1107/S0108270199098959 ]
Synopsis: The structure of Kemp's acid, cis,cis-1,3,5-cyclohexane-1,3,5-tricarboxylic acid, studied previously by Rebek et al. [J. Am. Chem. Soc. (1985), 107, 7476-7481] and by Chan et al. [J. Crystallogr. Spectrosc. Res. (1991), 21, 297-308] at room temperature, has been redetermined at 120K.
Formula: C12H18O6
Acta Cryst. (1999). C55, IUC9900095 [ doi:10.1107/S0108270199098947 ]
Synopsis: The title compound exists as the trans isomer. The dihedral nobreak angle between the phenyl and quinoline rings is 1.9(1)° and the N=N bond
distance is 1.249(3)Å. In the solid, intermolecular O-H
N hydrogen bonds [2.826 (3) Å and 138°] link the molecules
about inversion centres to form dimers.
Formula: C17H15N3O2
Acta Cryst. (1999). C55, 1197-1199 [ doi:10.1107/S0108270199004941 ]
Synopsis: Cs3NbSe4 crystallises as a K3VS4 type and is isotypic with previously reported K and Rb analogues. The crystal structure is based on discrete tetrahedral [NbSe4]3- anions, which are connected via Cs+ cations.
Formula: Cs3NbSe4
Acta Cryst. (1999). C55, 1199-1200 [ doi:10.1107/S0108270199006927 ]
Synopsis: Li4Ba3As4 (Immm) is isostructural with Li4Sr3Sb4 and Li4Ba3Sb4. It contains two anionic moieties, namely As24- dumbbells and As3-, and consists of planes of BaAs6 octahedra separated by corrugated sheets of Li and Ba atoms.
Formula: Li4Ba3As4
Acta Cryst. (1999). C55, 1200-1203 [ doi:10.1107/S0108270199006721 ]
Synopsis: The title compound, trithallium trititanium oxide tris(phosphate) diphosphate, is built up from a three-dimensional polyhedral network of TiO6, PO4 and P2O7 units. It is isostructural with M3Ti3O(PO4)3(P2O7) (M = K, Rb).
Formula: Tl3Ti3O(PO4)3(P2O7)
Acta Cryst. (1999). C55, 1203-1205 [ doi:10.1107/S0108270199005983 ]
Synopsis: Zinc mercury tetrathiocyanate consists of slightly flattened ZnN4 and HgS4 tetrahedra linked by -S=C=N- bridges to form infinite three-dimensional -Hg-S=C=N-Zn- networks.
Formula: ZnHg(SCN)4
Acta Cryst. (1999). C55, 1205-1208 [ doi:10.1107/S0108270199005764 ]
Synopsis: The crystal structure of [Co(NO2)(NH3)5](SiF6) has been determined at 293 and 150K. The complex cations in the structure are linked by N-H
F hydrogen
bonds to the (SiF6)2- anions and by N-H
O hydrogen bonds to
other cations. The role of these hydrogen bonds and of the repulsive O
F interactions in the anisotropy of the structural distortion
on cooling is discussed.
Formula: [Co(NO2)(NH3)5](SiF6)
Acta Cryst. (1999). C55, 1208-1210 [ doi:10.1107/S0108270199006277 ]
-chloro]Synopsis: The crystal structure of the title compound consists of polymeric chains of corner-sharing AgCl4 tetrahedra, with Rb+ ions situated between the chains.
Formula: Rb2AgCl3
Acta Cryst. (1999). C55, 1210-1212 [ doi:10.1107/S0108270199004606 ]
Synopsis: The non-centrosymmetric structure of tridysprosium copper germanium heptaselenide (La3CuSiS7 structure type) comprises CuSe3 triangles, GeSe4 tetrahedra, and DySe8 bicapped trigonal prisms.
Formula: Dy3CuGeSe7
Acta Cryst. (1999). C55, 1213-1215 [ doi:10.1107/S0108270199005995 ]
Formula: [Zn(C22H12N5)(OH)(CH4N2O)(H2O)]CH4N2O
Acta Cryst. (1999). C55, 1215-1216 [ doi:10.1107/S0108270199005843 ]
Formula: [Ga2Cl4(C6H18N3OP)2]
Acta Cryst. (1999). C55, 1216-1218 [ doi:10.1107/S010827019900205X ]
Formula: [OsClF2(C5H5N)3]
Acta Cryst. (1999). C55, 1218-1220 [ doi:10.1107/S0108270199005016 ]
Formula: [Mn(C28H36N4O4)](ClO4)2H2O
Acta Cryst. (1999). C55, 1220-1222 [ doi:10.1107/S0108270199005958 ]
Formula: [PdCl2(C10H16N2O8)]6H2O
Acta Cryst. (1999). C55, 1222-1224 [ doi:10.1107/S0108270199005776 ]
Formula: [Cu(C28H41N4O4)]ClO42H2O
Acta Cryst. (1999). C55, 1224-1226 [ doi:10.1107/S010827019900462X ]
Formula: [Ru(C4H14B10O2S2)(C18H15P)]
Acta Cryst. (1999). C55, 1226-1228 [ doi:10.1107/S0108270199004667 ]
Formula: [Ni(C24H31B10O3PS3)]
Acta Cryst. (1999). C55, 1228-1230 [ doi:10.1107/S0108270199002590 ]
Formula: [Cu(C7H5O3)2(C4H6N2)2]
Acta Cryst. (1999). C55, 1230-1234 [ doi:10.1107/S0108270199005399 ]
-suberato-O,O':O'',O'''] and catena-poly[[[bis(benzimidazole-N3)copper(II)]-
-sebacato-O,O':O'',O'''] dihydrate]Formula: [Cu(C8H12O4)(C7H6N2)2] and [Cu(C10H16O4)(C7H6N2)2]2H2O
Acta Cryst. (1999). C55, 1234-1236 [ doi:10.1107/S0108270199004072 ]
Formula: [Sn(C6H5)3(OH)]C19H13N5H2O
Acta Cryst. (1999). C55, 1236-1238 [ doi:10.1107/S010827019900596X ]
-chloro-bis{[tris(2-pyridylmethyl)amine-
4N]nickel(II)} bis(triethylammonium) tetraperchlorateFormula: (C6H16N)2[Ni2Cl2(C18H18N4)2](ClO4)4
Acta Cryst. (1999). C55, 1238-1241 [ doi:10.1107/S0108270199004825 ]
Formula: [Cd3(CN)6(C6H13N)2]C7H8
Acta Cryst. (1999). C55, 1241-1243 [ doi:10.1107/S0108270199005570 ]
Formula: [Cu(C5H8NO2)(C12H8N2)(H2O)]NO3H2O
Acta Cryst. (1999). C55, 1243-1246 [ doi:10.1107/S0108270199005648 ]
Formula: [Cu2(C20H17N6)(N3)3]
Acta Cryst. (1999). C55, 1247-1248 [ doi:10.1107/S0108270199005867 ]
Formula: [Cu(C5H4O4)]
Acta Cryst. (1999). C55, 1248-1250 [ doi:10.1107/S0108270199004874 ]
Formula: [Ni(C12H8N2)(H2O)4](NO3)2H2O
Acta Cryst. (1999). C55, 1250-1253 [ doi:10.1107/S0108270199004837 ]
3-Se)Formula: [FePt2Se(C18H15P)2(CO)5]
Acta Cryst. (1999). C55, 1253-1255 [ doi:10.1107/S0108270199004692 ]
-tetrathiaoxalato-bis[(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(II)]Formula: (C36H30NP2)2[Ni2(C2S4)(C3S5)2]
Acta Cryst. (1999). C55, 1255-1257 [ doi:10.1107/S0108270199005132 ]
S)trichloroplatinum(II)-18-crown-6-water (1/1/2)Formula: [Pt(C5H12NO3S)Cl3]C12H24O62H2O
Acta Cryst. (1999). C55, 1257-1260 [ doi:10.1107/S010827019900520X ]
O and intermolecular N-H
O and C-H
O interactions in N-ferrocenoylglycine benzyl ester, an effective dihydrogen phosphate anion sensing agentFormula: [Fe(C5H5)(C15H14NO3)]
Acta Cryst. (1999). C55, 1260-1262 [ doi:10.1107/S0108270199004886 ]
Formula: [MgNa(C6H6NO6)(H2O)3]2H2O
Acta Cryst. (1999). C55, 1262-1263 [ doi:10.1107/S0108270199004904 ]
Formula: [CoCl2(C8H8N2)2]
Acta Cryst. (1999). C55, 1264-1267 [ doi:10.1107/S0108270199004199 ]
Formula: [Zn(C12H15N4OS)(C2H3O2)] and [Zn(NO3)2(C12H16N4OS)]
Acta Cryst. (1999). C55, 1267-1270 [ doi:10.1107/S0108270199005594 ]
Formula: [Co(C2O4)(CH5N)4]ClO4 and [Co(C2O4)(C2H7N)4]ClO4H2O
Acta Cryst. (1999). C55, 1270-1272 [ doi:10.1107/S0108270199004916 ]
Formula: [UO2(NO3)2(C11H22N2O)2]
Acta Cryst. (1999). C55, 1272-1275 [ doi:10.1107/S0108270199005715 ]
Formula: [Pt(C6H4O2)(C18H15P)2], [Pt(C6H4S2)(C18H15P)2] and
Acta Cryst. (1999). C55, 1275-1278 [ doi:10.1107/S0108270199004898 ]
Formula: [UCl4(C3H8O)4] and [ThCl4(C3H8O)4]
Acta Cryst. (1999). C55, 1278-1280 [ doi:10.1107/S0108270199005296 ]
3-sulfito-O:O:O'] hydrate]Formula: [Cd(SO3)(C10H8N2)(H2O)]H2O
Acta Cryst. (1999). C55, 1280-1282 [ doi:10.1107/S0108270199005120 ]
Formula: [Sn(CH3)3(C17H11ClNO2S)(H2O)]
Acta Cryst. (1999). C55, 1282-1284 [ doi:10.1107/S0108270199005545 ]
Formula: (C24H20P)2[Pd2NiCl6(C12H18N2O2)]
Acta Cryst. (1999). C55, 1284-1286 [ doi:10.1107/S0108270199005429 ]
Formula: [Fe(C28H28N4)(C4H8O)2]ClO4
Acta Cryst. (1999). C55, 1287-1290 [ doi:10.1107/S0108270199005119 ]
Formula: C13H14N3+C4H5O6-H2O
Acta Cryst. (1999). C55, 1290-1292 [ doi:10.1107/S010827019900493X ]
Formula: 2C13H14N3+C2O42-
Acta Cryst. (1999). C55, 1292-1295 [ doi:10.1107/S0108270199004552 ]
Formula: C6H7N3O3 at 300 and 90 K
Acta Cryst. (1999). C55, 1295-1297 [ doi:10.1107/S0108270199000645 ]
Formula: C15H22O3
Acta Cryst. (1999). C55, 1297-1299 [ doi:10.1107/S0108270198017466 ]
,7
-dihydroxyvouacapan-17
-carboxamideFormula: C26H39NO4
Acta Cryst. (1999). C55, 1299-1300 [ doi:10.1107/S0108270199005752 ]
Formula: C19H12N2
Acta Cryst. (1999). C55, 1300-1304 [ doi:10.1107/S0108270199005673 ]
Formula: C13H14N2O4 and C13H13N3O6
Acta Cryst. (1999). C55, 1304-1306 [ doi:10.1107/S0108270199005971 ]
Formula: C17H16N4O2
Acta Cryst. (1999). C55, 1306-1308 [ doi:10.1107/S0108270199006150 ]
Formula: C15H12O3
Acta Cryst. (1999). C55, 1308-1310 [ doi:10.1107/S0108270199005521 ]
Formula: C5H4IN
Acta Cryst. (1999). C55, 1310-1313 [ doi:10.1107/S0108270199005533 ]
Formula: C14H18O6
Acta Cryst. (1999). C55, 1313-1315 [ doi:10.1107/S0108270199004734 ]
Formula: Two isomers of C13H15N2O5PS
Acta Cryst. (1999). C55, 1315-1317 [ doi:10.1107/S010827019900565X ]
-(2-benzyl-1-methyl-4-phenylsulfonylpyrrolo[3,4-b]indol-3-yl)maleateFormula: C30H26N2O6S
Acta Cryst. (1999). C55, 1318-1320 [ doi:10.1107/S0108270199005788 ]
S hydrogen bonding in N-benzoyl-N'-methyl-N'-phenylthiourea and N-benzoyl-N'-(3,4-dimethylphenyl)thioureaFormula: C15H14N2OS and C16H16N2OS
Acta Cryst. (1999). C55, 1320-1322 [ doi:10.1107/S0108270199003996 ]
-iodo]Formula: [SeI(C7H14NS2)]
Acta Cryst. (1999). C55, 1322-1325 [ doi:10.1107/S0108270199005892 ]
Formula: C16H21ClN3S+Br-CH4O
Acta Cryst. (1999). C55, 1325-1328 [ doi:10.1107/S0108270199004710 ]
Formula: C7H8N3+NO3-
Acta Cryst. (1999). C55, 1328-1330 [ doi:10.1107/S0108270199000876 ]
Formula: C6H8N3O+NO3-
Acta Cryst. (1999). C55, 1330-1332 [ doi:10.1107/S0108270198018022 ]
Formula: C7H5N2S2+Cl-0.5CH2Cl2
Acta Cryst. (1999). C55, 1333-1335 [ doi:10.1107/S0108270199005259 ]
Formula: C12H19N3O4
Acta Cryst. (1999). C55, 1335-1337 [ doi:10.1107/S0108270199005685 ]
Formula: C11H14N4O4H2O
Acta Cryst. (1999). C55, 1337-1339 [ doi:10.1107/S0108270199004631 ]
Formula: C17H12N4
Acta Cryst. (1999). C55, 1339-1342 [ doi:10.1107/S0108270199004813 ]
Formula: C12H15Cl3O2Te
Acta Cryst. (1999). C55, 1342-1344 [ doi:10.1107/S0108270199005600 ]
Formula: Two isomers of C15H19NO2
Acta Cryst. (1999). C55, 1345-1347 [ doi:10.1107/S0108270199004679 ]
Formula: C30H28N8OCH4O
Acta Cryst. (1999). C55, 1347-1349 [ doi:10.1107/S0108270199004953 ]
Formula: C11H16O6
Acta Cryst. (1999). C55, 1349-1351 [ doi:10.1107/S0108270199005417 ]
Formula: C22H20O2
Acta Cryst. (1999). C55, 1351-1353 [ doi:10.1107/S0108270199004680 ]
Formula: C26H22O6
Acta Cryst. (1999). C55, 1353-1355 [ doi:10.1107/S0108270199006769 ]
Formula: C24H29O7P
Acta Cryst. (1999). C55, 1355-1357 [ doi:10.1107/S0108270199004722 ]
Formula: C24H24N2O
Acta Cryst. (1999). C55, 1357-1360 [ doi:10.1107/S0108270199004503 ]
Formula: C23H22S2 and C24H24S2
Acta Cryst. (1999). C55, 1360-1361 [ doi:10.1107/S0108270199004709 ]
Formula: C11H13BrN+Br-
Acta Cryst. (1999). C55, 1362-1363 [ doi:10.1107/S0108270199004497 ]
Formula: C11H18INO3
Acta Cryst. (1999). C55, 1364-1365 [ doi:10.1107/S0108270199005727 ]
-Cyano-N-(2,5-dibromophenyl)-
-hydroxybut-2-enamideFormula: C11H8Br2N2O2
Acta Cryst. (1999). C55, 1365-1368 [ doi:10.1107/S0108270199005284 ]
Formula: C20H30N2O5H2O
Acta Cryst. (1999). C55, 1368-1369 [ doi:10.1107/S0108270199004527 ]
H-O intramolecular strong hydrogen bond in N-(2-aminophenyl)naphthaldimineFormula: C17H14N2O
Acta Cryst. (1999). C55, 1370-1373 [ doi:10.1107/S0108270199004485 ]
Formula: Two polymorphs of C13H19NO2
Acta Cryst. (1999). C55, 1373-1375 [ doi:10.1107/S0108270199005557 ]
Formula: C21H24N2O4S
Acta Cryst. (1999). C55, 1375-1377 [ doi:10.1107/S0108270199007489 ]
Formula: C13H17NO5S
Acta Cryst. (1999). C55, 1378-1380 [ doi:10.1107/S0108270199007611 ]
Formula: C9H18N2O3S
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