Synthese und Struktur eines Caesiumoxonitridomonowolframates(VI), Cs7[WN1,5O2,5]2

Synthesis and Crystal Structure of a Cesium Oxo Nitrido Monotungstate(VI), Cs₇[WN_1.5O_2.5]₂ Mixtures of tungsten powder and WO₃ react with an excess of CsNH₂ in autoclaves at 650 °C to yield hygroscopic yellow crystals of cesium oxo nitrido tungstate(VI) Cs₇[WN_1.5O_2.5]₂ besides Cs₆[W₂N₄O₃] [1]. After the reaction the crystals are embedded in cesium metal (from thermal decomposition of CsNH₂), which was washed out by liquid ammonia. The crystals allowed a successful X‐ray structure determination. Cs₇[WN_1.5O_2.5]₂ crystallizes in the space group P2₁/c with the lattice parameters a = 6.766(1) Å, b = 11.205(3) Å, c = 22.299(4) Å, β = 91.05(1)° and Z = 4. The crystal structure is built up by isolated tetrahedra [WX₄] with X = N, O, which are separeted by cesium cations.     

Über ein Kaliumoxonitridomonocyclowolframat(VI), K10[(WN2,5O0,5)4], mit Ringen aus vier eckenverknüpften Tetraedern (WX2X2/2)4 mit X = N,O

Potassium Oxo Nitrido Mono Cyclo Tungstate(VI), K₁₀[(WN_2.5O_0.5)₄] with Rings of Four Corner‐Sharing Tetrahedra (WX₂X_2/2)₄ with X = N, O Reactions of mixtures of potassium amide, tungsten powder and tungsten(VI) oxide in autoclaves at 650 °C lead to yellow potassium oxo nitrido mono cyclo tungstate (VI), K₁₀[(WN_2.5O_0.5)₄], which crystallizes isotypic to Ba₁₀[(TiN₃)₄]. After the reaction is finished, crystals are embedded in a matrix of potassium metal. They were isolated by washing out the metal with liquid ammonia. X‐ray investigations showed that K₁₀[(WN_2.5O_0.5)₄] crystallizes in the space group P1 with lattice parameters a = 6.569(5) Å, b = 9.437(2) Å, c = 9.559(3) Å, α = 106.20(2)°, β = 101.93(5)°, γ = 108.20(3)° and Z = 1. The crystal structure contains rings of four corner‐sharing tetrahedra (WX₂X_2/2)₄ with X = N, O which are packed along the a‐axis forming the motif of a hexagonal rod packing of columns. Potassium ions are located mainly between these columns but also within them.     

Hochdrucksynthese von Caesiumamidazid,Cs2(NH2)N3 aus Caesiummetall und Ammoniak

High-pressure Synthesis of Cesium Amide Azide, Cs₂(NH₂)N₃ from Cesium Metal and Ammonia The reaction of cesium and yttrium metal with ammonia at 5–6 kbar and 190–220°C led to a well crystallized cesium amide azide and to YN. The formation of the cesium compound is discussed by volume effects. X-ray investigations gave the atomic arrangement of the compound. The tetragonal unit cell with a = 8.194(3) and c = 4.450(1) Å contains two formula units. The structure determination was successfull in the space group P4/mbm. The azide ion has different coordination and bond length (1.255 Å) as compared with that in the alkali metal azides (1.17 Å). The amide ions carry out a strong libration.     

Verbindungen im System CsN3?Sr(N3)2?H2O

Compounds in the System CsN₃? Sr(N₃)₂? H₂O Three new compounds between cesium azide and strontium azide have been crystalized from aqueous solutions at room temperature. The lattice parameters wee investigated by means of x-ray single crystal techniques, the indexed powder patterns are listed. CsSr(N₃)₃ crystalizes monoclinic: a = 1 589, b = 1 015, c = 904 pm, β = 90.47°, N = 8, space group P2₁/c. Cs₂Sr(N₃)₄ crystallizes orthorhombic: a = 1 263, b = 1 454, c = 1 183 pm, N = 8, space group Cmca. Cs₂Sr(N₃)₄ · 4 H₂O crystalizes orthorhombic: a = 2 061, b = 1 114, c = 637 pm, N = 4, space group Ccca     

Röntgenographische und spektroskopische Untersuchungen an Ba2Ni(N3)6· 3H2O

Preparation and X-Ray Examination of Ba₂Ni(N₃)₆ · 3 H₂O Ba₂Ni(N₃)₆ · 3 H₂O has been prepared by the reaction of an aqueous solution of Ba(N₃)₂ with basic nickel azide. The crystals are green, the lattice constants are: a = 7.09 Å, b = 7.09 Å, c = 16.30 Å, α = 74.58°, β = 105.42°, γ = 97.10°, N = 2. Optical spectra point to an octahedral microsymmetry of the azide ions around nickel.     

Synthesis,crystal structure and electrical characterization of Cs4[(UO2)2(V2O7)O2], a uranyl divanadate with chains of corner-sharing uranyl square bipyramids

A new cesium uranyl vanadate Cs₄[(UO₂)₂(V₂O₇)O₂] has been synthesized by solid-state reaction and its structure determined from single-crystal X-ray diffraction data. It crystallizes in the orthorhombic symmetry with space group Pmmn and following cell parameters: a=8.4828(15) Å, b=13.426(2) Å and c=7.1366(13) Å, V=812.8(3) Å³, Z=2 with ρ_mes=5.39(2) g/cm³ and ρ_cal=5.38(1) g/cm³. A full-matrix least-squares refinement on the basis of F² yielded R₁=0.027 and wR₂=0.066 for 62 parameters with 636 independent reflections with I⩾2σ(I) collected on a BRUKER AXS diffractometer with MoKα radiation and a charge-coupled device detector. The crystal structure is characterized by _∞²[(UO₂)₂(V₂O₇)O₂]⁴⁻ corrugated layers parallel to (001). The layers are built up from distorted (UO₂)O₄ octahedra and divanadate V₂O₇ units resulting from two VO₄ tetrahedra sharing corner. The distorted uranyl octahedra (UO₂)O₄ are linked by corners to form infinite _∞¹[UO₅]⁴⁻ chains parallel to the a-axis. These chains are linked together by symmetrical divanadate units sharing two corners with each chain, the two last corners being oriented towards the same interlayer. The cohesion of the structure is assured by interlayer Cs⁺ ions. Their mobility within the interlayer space gives rise to a cationic conductivity with an important jump between 635°C and 680°C. Cs₄[(UO₂)₂(V₂O₇)O₂] is readily decomposed by water at 60°C to form the Cs-carnotite analog Cs₂(UO₂)₂(V₂O₈) compound.     

First Mixed Alkaline Uranyl Molybdates: Synthesis and Crystal Structures of CsNa3[(UO2)4O4(Mo2O8)] and Cs2Na8[(UO2)8O8(Mo5O20)]

Two new mixed alkaline uranyl molybdates CsNa₃[(UO₂)₄O₄Mo₂O₈] ( 1 ) and Cs₂Na₈[(UO₂)₈O₈(Mo₅O₂₀)] ( 2 ) have been obtained by high‐temperature solid state reactions. Their crystal structures have been solved by direct methods: Compound 1 : triclinic, P , a = 6.46(1), b = 6.90(1), c = 11.381(2) Å, α = 84.3(1), β = 91.91(1), γ = 80.23(1)°, V = 488.6(2) ų, R₁ = 0.06 for 2865 unique reflections with |F_o| ≥ 4σ_F; Compound 2 : orthorhombic, Ibam, a = 6.8460(2), b = 23.3855(7), c = 12.3373(3) Å, V = 1975.2(1) ų, R₁ = 0.049 for 2120 unique reflections with |F_o| ≥ 4σ_F. The structure of 1 contains complex sheets of UrO₅ pentagonal bipyramids and molybdenum polyhedra. The sheets have [(UO₂)₂O₂(MoO₅)] composition. Natrium and cesium atoms are located in the interlayer space. Cesium atoms are situated between the molybdenum clusters, whereas natrium atoms are segregated between the uranyl complexes. The large Cs⁺ ions are localized between the Mo₂O₉ groups and force the molybdenum polyhedra to rotate relative to the [(UO₂)₂O₂(MoO₅)] sheets. Such rotation is impossible for U⁶⁺ polyhedra due to their rigid edge‐sharing complexes. The distance between the U⁶⁺ polyhedra vertices of neighboring layers is 3.8 Å, that allows the Na⁺ ion to be positioned between the uranyl groups. The crystal structure of 2 is based upon a framework consisting of [(UO₂)₂O₂(MoO₅)] sheets parallel to (010). The sheets are linked into a 3‐D framework by sharing vertices with the Mo(2)O₄ tetrahedra, located between the sheets. Each MoO₄ tetrahedron shares two of its corners with two MoO₆ octahedra in the sheet above, and the other two with MoO₆ octahedra of the sheet below. Thus four MoO₆ octahedra and one MoO₄ tetrahedron form chains of composition Mo₅O₁₈. The resulting framework has a system of channels occupied by the Cs⁺ and Na⁺ ions.     

Cs2Ba(O3)4 · 2 NH3, das erste ionische Erdalkaliozonid

Cs₂Ba(O₃)₄ · 2 NH₃, the First Ionic Alkaline Earth Metal Ozonide Cs₂Ba(O₃)₄ · 2 NH₃ is the first ionic ozonide containing an alkaline earth metal cation. Its synthesis has been achieved via partial cation exchange of CsO₃ dissolved in liquid ammonia. According to a single crystal X‐ray structure determination (Pnnm; a = 6.312(2) Å, b = 12.975(3) Å, c = 8.045(2) Å; Z = 2; R₁ = 4.6%; 848 independent reflections) ozonide anions, cesium cations and ammonia molecules form a CsCl‐type arrangement, where Cs⁺ and NH₃ occupy one half of the cation sites, each. Ba²⁺ is coordinated by four ozonide groups and two ammonia molecules. Because of a short hydrogen bond to one of the terminal oxygen atoms, the respective O–O‐distance in the ozonide ion is longer than the other. The shortest intermolecular O–O‐distance ever observed in ionic ozonides has been found in this compound, which can be taken as a first clue for the radical ozonide anion to dimerize like the isoelectronic SO₂^– does.     

Polysulfonylamine. CLXIII [1] Kristallstrukturen von Metall‐di(methansulfonyl)amiden. 12 [1] Das orthorhombische Doppelsalz Na2Cs2[(CH3SO2)2N]4·3H2O: Ein dreidimensionales Koordinationspolymer aus (Caesium‐Anion‐Wasser)‐Schichten und intercalierten Natriumionen

Polysulfonylamines. CLXIII. Crystal Structures of Metal Di(methanesulfonyl)amides. 12. The Orthorhombic Double Salt Na₂Cs₂[(CH₃SO₂)₂N]₄·3H₂O: A Three‐Dimensional Coordination Polymer Built up from Cesium‐Anion‐Water Layers and Intercalated Sodium Ions The packing arrangement of the three‐dimensional coordination polymer Na₂Cs₂[(MeSO₂)₂N]₄·3H₂O (orthorhombic, space group Pna2₁, Z′ = 1) is in some respects similar to that of the previously reported sodium‐potassium double salt Na₂K₂[(MeSO₂)₂N]₄·4H₂O (tetragonal, P4₃2₁2, Z′ = 1/2). In the present structure, four multidentately coordinating independent anions, three independent aquo ligands and two types of cesium cation form monolayer substructures that are associated in pairs to form double layers via a Cs(1)—H₂O—Cs(2) motif, thus conferring upon each Cs⁺ an irregular O₈N₂ environment drawn from two N, O‐chelating anions, two O, O‐chelating anions and two water molecules. Half of the sodium ions occupy pseudo‐inversion centres situated between the double layers and have an octahedral O₆ coordination built up from four anions and two water molecules, whereas the remaining Na⁺ are intercalated within the double layers in a square‐pyramidal and pseudo‐C₂ symmetric O₅ environment provided by four anions and the water molecule of the Cs—H₂O—Cs motif. The net effect is that each of the four independent anions forms bonds to two Cs⁺ and two Na⁺, two independent water molecules are involved in Cs—H₂O—Na motifs, and the third water molecule acts as a μ₃‐bridging ligand for two Cs⁺ and one Na⁺. The crystal cohesion is reinforced by a three‐dimensional network of conventional O—H···O=S and weak C—H···O=S/N hydrogen bonds.     

Synthese und Struktur eines Caesium-tetraimidophosphat-diamids,Cs5[P(NH)4](NH2)2 = Cs3[P(NH)4] · 2 CsNH2

Synthesis and Crystal Structure of a Cesium-tetraimidophosphate-diamide, Cs₅[P(NH)₄](NH₂)₂ = Cs₃[P(NH)₄] · 2 CsNH₂ Well crystallized Cesium-tetraimidophosphate-diamide is obtained by the reaction of CsNH₂ with P₃N₅ in autoclaves at 673 K within three days. X-ray single crystal investigations led to the following data

• Ccca, Z = 4, a = 8.192(5) Å, b = 20.472(5) Å,
• c = 8.252(3) Å
• Z(F) ≥3σ(F) = 916, Z(Var.) = 32, R/R_w=1 = 0.017/0.021

The compound contains the hitherto unknown anion [P(NH)₄]^3?.     

Synthesis and Crystal Structures of α‐ and β‐Mg2[(UO2)3(SeO4)5](H2O)16

Single crystals of α‐ and β‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆ have been synthesized by evaporation from an aqueous solution of the ionic components. The structure of α‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆ (monoclinic, C2/c, a = 19.544(3), b = 10.4783(11), c = 18.020(3) Å, β = 91.352(12)°, V = 3689.3(9) ų) has been solved by direct methods and refined to R₁ = 0.048 on the basis of 4338 unique observed reflections. The structure of β‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆ (orthorhombic, Pbcm, a = 10.3807(7), b = 22.2341(19), c = 33.739(5) Å, V = 7787.2(14) ų) has been solved by direct methods and refined to R₁ = 0.107 on the basis of 3621 unique observed reflections. The structures of α‐ and β‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆ are based upon sheets with the chemical composition [(UO₂)₃(SeO₄)₅]^4‐. The sheets are formed by corner sharing between pentagonal bipyramids [UO₇]^8‐ and SeO₄^2‐ tetrahedra. In the α‐modification, the [(UO₂)₃(SeO₄)₅]^4‐ sheets are more or less planar and run parallel to (001). In the structure of the β‐modification, the uranyl selenate sheets are strongly corrugated and oriented parallel to (010). The [Mg(H₂O)₆]²⁺ polyhedra reside in the interlayers and provide three‐dimensional linkage of the uranyl selenate sheets via hydrogen bonding. In addition to H₂O groups attached to Mg²⁺ cations, both structures also contain H₂O molecules that are not bonded to any cation. The [(UO₂)₃(SeO₄)₅]^4‐ sheets in the structures of α‐ and β‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆ represent two different structural isomers. The sequences of the orientations of the tetrahedra within the sheets can be described by their orientational matrices with their shortened forms ( ddudd □ /uu □ uud ) and ( dd □ dd □ uu □ uu □ /uuduumdduddm ) for α‐ and β‐Mg₂[(UO₂)₃(SeO₄)₅](H₂O)₁₆, respectively. A short review on the isomerism of [(UO₂)₃(TO₄)₅]^4‐ sheets (T = S, Cr, Se, Mo) is given.     

Tetraiodide von Tris(1,2‐ethandiamin)komplexen der Metalle Zink und Nickel

The isotypic compounds tris(1,2‐ethanedi­amine‐N,N′)­zinc(II) triiodide iodide, [Zn(C₂H₈N₂)₃](I₃)I, and tris(1,2‐ethanedi­amine‐N,N′)­nickel(II) triiodide iodide, [Ni(C₂H₈N₂)₃](I₃)I, contain the octahedral [M(en)₃]²⁺ cation, with M = Zn and Ni, in both enantiomeric forms, an essentially linear triiodide anion and an iodide anion. The geometries of the complex ions are as expected, e.g.d(Ni—N) = 2.123 (5), 2.127 (6) and 2.134 (5) Å, and d(Zn—N) = 2.176 (4), 2.193 (4) and 2.210 (4) Å. The shortest contact between the triiodide and iodide ions is 3.979 (1) Å for the nickel compound and 4.013 (1) Å for the zinc compound.     

Tetraammonium Diglycinyl‐octamolybdate(VI) Dihydrate, (NH4)4[(NH3CH2CO)2(Mo8O28)] · 2 H2O

The reaction of ammonium heptamolybdate with hydrazine sulfate in an aqueous solution of glycine at room temperature yielded colorless crystals of (NH₄)₄[(NH₃CH₂CO)₂(Mo₈O₂₈)] · 2 H₂O. The crystal is monoclinic, space group C2/c (no. 15), a = 17.234 Å, b = 10.6892 Å, c = 18.598 Å, β = 108.280°, V = 3253.2 ų, Z = 4. The crystal structure contains ammonium cations and isolated octamolybdate(4–) anions, [(NH₃CH₂CO)₂(Mo₈O₂₈)]^4–, with two zwitterionic glycine molecules as ligands.     

Structure and Crystallographic Disorder of [Mo2(O2CCF3)2I4](HPPh3)2

The reaction of Mo₂(O₃CCF₃)₄ with (CH₃)₃SiI and PPh₃ gave the title complex [Mo₃(O₂CCF₃)₂I₄]-(HPPh₃)₂ which was characterized by X-ray crystallography. Crystal data for [Mo₂(O₂CCF₃)₂I₄](HPPh₃)₂: space group $ {\rm P}\bar 1 $, a = 10.953(4) Å, b = 12.784(3) Å, c = 19.829(4) Å, α = 100.68(2)°, β = 91.16(2)°, γ = 112.98(2)°, V = 2498.6(10) ų, Z = 2, with final residuals R = 0.0887 and Rw = 0.0965. There are two independent molecules in each asymmetric unit. The molybdenum, oxygen, and fluoride atoms in one of the two independent molecules are disordered, such that the primary set is 53% occupied, and the secondary set 47%.     

Crystal structure of (C2H7N4O)2[(UO2)2)(OH)2(C2O4)(CHO2)2]

An X-ray diffraction study of the single crystals of (C₂H₇N₄O)₂[(UO₂)₂(OH)₂(C₂O₄)(CHO₂)₂] was carried out. The compound crystallizes in the triclinic system, space group $P\bar 1$ , Z = 2, a = 5.5621(8) Å, b = 8.1489(10) Å, c = 11.8757(16) Å, α = 88.866(7)°, β = 82.204(6)°, γ = 87.378(6)°, V = 532.7(1) ų, ρ_calcd = 2.988 g/cm³. The main structural units in the crystal are the [(UO₂)₂(OH)₂(C₂O₄)(CHO₂)₂)]^2? chains corresponding to the crystal chemical group A₂M ₂ ² K⁰²M ₂ ¹ (A = UO ₂ ²⁺ , M² = OH^?, K⁰² = C₂O ₄ ^2? , M¹ = CHO ₂ ^? ) of uranyl complexes. The chains are united into a three-dimensional framework through the electrostatic interaction and hydrogen bonds involving uranyl, oxalate, and hydroxyl groups, formate ions, and 1-carbamoylguanidinium cations.     

Synthesis and Crystal Structure of Cesium Nitratometalates(II), Cs2[M(NO3)4] (M = Mn,Co, Ni,Zn)

Crystalline cesium nitratometalates(II), Cs₂[M(NO₃)₄] (M = Mn ( I ), Co ( II ), Ni ( III ), and Zn ( IV )) were synthesized from M(NO₃)₂ · n H₂O and CsNO₃ by heating at 80–120 °C over 10–12 h. According to X-ray crystal structure analysis, the compounds are built from Cs⁺ cations and [M(NO₃)₄]^2– anions. The latter differ by the type of metal coordination: a dodecahedron for Mn in I (CN = 8, r_Mn–O 2.24–2.37 Å), a seven coordination for Co in II (CN = 4 + 3, r_Co–O 2.03–2.16 Å and 2.21–2.35 Å) and a tetrahedral distorted dodecahedron for Zn in IV (CN = 4 + 4, r_Zn–O 1.98–2.15 Å and 2.38–2.72 Å). Ni atom in III has a distorted octahedral NiO₆ environment provided by two unidentate and two bidentate NO₃ groups with Ni–O distances of 2.01–2.14 Å. The differences in metal coordination are discussed in terms of valence electron configurations, ionic radii, and the packing effects.     

Ba4[WN4]Cl2: The first nitridotungstate(VI) chloride

Transparent yellow crystals of Ba₄[WN₄]Cl₂ were grown at 850°C by the reaction of Ba(NH₂)₂ with W in a KCl melt under flowing nitrogen. The compound crystallizes monoclinic in P2₁/m and Z = 2 with the cell parameters a = 8.447(4) Å, b = 6.143(2) Å, c = 10.727(6) Å and β = 99.04(4)°. The crystal structure contains isolated anions [WN₄]^6? and Cl^?. It is the first nitridotungstate(VI) chloride reported so far.     

Homo- und heterodinukleare α-Pyridonat-verbrückte Platin- und Palladium-komplexe mit Bis(N-methylimidazol-2-yl)keton (BMIK). Kristallstrukturen von [(BMIK)Pt(α-Pyridonat)2Pt(BMIK)](NO3)2 · 4H2O, [(BMIK)Pd(α-Pyridonat)2Pd(BMIK)](NO3)2 · 4H2O und [(BMIK)Pd(α-Pyridonat)2Pt/Pd(BMIK)](NO3)2 · 4H2O

Homo- and Heterodinuclear α-Pyridonate-bridged Platinum and Palladium Complexes with Bis(N-methylimidazol-2-yl)ketone (BMIK). Crystal Structures of [(BMIK)Pt(α-pyridonate)₂Pt(BMIK)](NO₃)₂ · 4H₂O, [(BMIK)Pd(α-pyridonate)₂Pd(BMIK)](NO₃)₂ · 4H₂O, and [(BMIK)Pd(α-pyridonate)₂Pt/Pd(BMIK)](NO₃)₂ · 4H₂O The isotypic dinuclear complexes [(BMIK)Pt(α-pyridonate)₂Pt(BMIK)](NO₃)₂ · 4H₂O ( 1 ) (P1 ; a = 12.197(5) Å, b = 12.505(5) Å, c = 12.866(5) Å, α = 88.17(3)°, β = 73.55(3)°, γ = 69.84(3)°; Z = 2) and [(BMIK)Pd(α-pyridonate)₂Pd(BMIK)](NO₃)₂ · 4H₂O ( 2 ) (a = 12.408(3) Å, b = 12.660(3) Å, c = 12.913(3) Å, α = 89.55(3)°, β = 74.59(2)°, γ = 68.68(2)°) were prepared by reaction of [Pt(BMIK)(H₂O)₂](NO₃)₂ or [Pd(BMIK)(H₂O)₂](NO₃)₂ with α-pyridone in aqueous solutions at 40°C and were isolated as red air-stable crystals (BMIK = bis(N-methylimidazol-2-yl)ketone). For the synthesis of mixed crystals of 2 with the heterometal complex [(BMIK)Pd(α-pyridonate)₂Pt(BMIK)](NO₃)₂ · 4H₂O ( 3 ) (a = 12.430(4) Å, b = 12.648(3) Å, c = 12.907(4) Å, α = 89.64(2)°, β = 74.57(2)°, γ = 68.65(2)°) α-pyridone was reacted with [Pd(BMIK)(H₂O)₂](NO₃)₂ in a molar ratio of 2 : 1 followed by addition of [Pt(BMIK)(H₂O)₂](NO₃)₂. The dinuclear cations consist of two M(BMIK) moieties (M = Pt, Pd) bridged by the N- and O-atoms of α-pyridonate, forcing the heterocyclic ring into head-head-orientation. Within the dinuclear cation, the two metal atoms are between 2.840 Å and 2.860 Å apart. The intermolecular distances are between 4.762 Å and 4.837 Å. The coordination geometry of both metal atoms is square-planar with the metal atoms being diplaced slightly from their respective coordination planes toward each other. ¹H and ¹⁹⁵Pt NMR spectra are reported for the complexes.     

Crystal structure of olanzapinium benzoate (1:1)

Olanzapinium benzoate, 1-methyl-4-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)-piperazin-1-ium benzoate, (C₁₇H₂₁N₄S)⁺(C₇H₅O₂)^? (I), crystallizes in triclinic space group P-1 with unit cell dimensions a = 9.2957(6) Å, b = 11.2416(7) Å, c = 12.0003(8) Å; α = 64.585(1)°, β = 87.568(1)°, γ = 83.248(1)°; V = 1124.8(1) ų. The asymmetric part of the structure comprises a singly charged olanzapinium cation and a singly charged benzoate anion. The central 1,5-diazepine ring adopts the expected boat conformation, while the piperazine ring favors the chair conformation. The olanzapinium and benzoate ions are linked by intermolecular N-H...O hydrogen bonds forming infinite chains running along the c-axis of the crystal.