Hydrogen-bonding patterns in 2-amino-4,6-dimethyl­pyrimidinium picrate

Subashini, A.; Muthiah, P.T.; Bocelli, G.; Cantoni, A.

doi:10.1107/S1600536806031254

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Hydrogen-bonding patterns in 2-amino-4,6-dimethylpyrimidinium picrate

A. Subashini, P. T. Muthiah, G. Bocelli and A. Cantoni

In the title structure, C₆H₁₀N₃⁺·C₆H₂N₃O₇⁻, the asymmetric unit consists of a 2-amino-4,6-dimethylpyrimidinium cation and a picrate (2,4,6-trinitrophenolate) anion. In the crystal structure, inversion-symmetry-related cations are paired via N—H

N hydrogen bonds, whereas inversion-related anions are paired via weak C—H

O hydrogen bonds. The cations and anions further interact with each other through N—H

O hydrogen bonds.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806031254/lh2147sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806031254/lh2147Isup2.hkl Contains datablock I

CCDC reference: 605414

checkCIF report

Key indicators

Single-crystal X-ray study
T = 153 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R factor = 0.060
wR factor = 0.201
Data-to-parameter ratio = 11.5

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O5     ..  O2B     ..       2.77 Ang.

Alert level C
PLAT030_ALERT_1_C _diffrn_reflns_number .LE.  _reflns_number_total          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT155_ALERT_4_C The Triclinic Unitcell is NOT Reduced ..........          ?
PLAT156_ALERT_4_C Axial System Input Cell not Standard ...........          ?
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N4
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N5
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N6
PLAT301_ALERT_3_C Main Residue  Disorder .........................      11.00 Perc.

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Computing details top

Data collection: XSCANS (Siemens, 1994); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.

2-amino-4,6-dimethylpyrimidinium 2,4,6-trinitrophenolate top

Crystal data top

C₆H₁₀N₃⁺·C₆H₂N₃O₇⁻	Z = 2
M_r = 352.28	F(000) = 364
Triclinic, P1	D_x = 1.556 Mg m⁻³
Hall symbol: -P 1	Cu Kα radiation, λ = 1.54178 Å
a = 9.646 (3) Å	Cell parameters from 45 reflections
b = 10.990 (3) Å	θ = 4.4–69.9°
c = 8.351 (3) Å	µ = 1.13 mm⁻¹
α = 79.86 (3)°	T = 153 K
β = 67.75 (3)°	Prism, yellow
γ = 66.62 (3)°	0.17 × 0.14 × 0.10 mm
V = 751.7 (5) Å³

Data collection top

Siemens AED single-crystal diffractometer	R_int = 0.000
Radiation source: fine- focus sealed tube	θ_max = 69.9°, θ_min = 4.4°
Graphite monochromator	h = −8→11
ω–2θ scans	k = −11→13
2841 measured reflections	l = −4→10
2841 independent reflections	1 standard reflections every 100 reflections
1974 reflections with I > 2σ(I)	intensity decay: none

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.060	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.201	H-atom parameters constrained
S = 1.01	w = 1/[σ²(F_o²) + (0.1398P)²] where P = (F_o² + 2F_c²)/3
2841 reflections	(Δ/σ)_max < 0.001
247 parameters	Δρ_max = 0.29 e Å⁻³
12 restraints	Δρ_min = −0.25 e Å⁻³

Special details top

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All e.s.d.'s are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F² for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F²> σ(F²) is used only for calculating -R-factor-obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
O1	0.2098 (2)	1.02406 (18)	−0.0711 (2)	0.0799 (7)
O2A	0.2722 (6)	0.7743 (3)	−0.1351 (7)	0.0973 (16)	0.688 (8)
O3A	0.5037 (8)	0.6355 (10)	−0.1286 (13)	0.109 (3)	0.688 (8)
O4	0.6767 (3)	0.6695 (2)	0.3186 (4)	0.1124 (10)
O5	0.5866 (4)	0.8515 (3)	0.4427 (4)	0.1360 (13)
O6	0.0950 (3)	1.2313 (2)	0.1202 (4)	0.1240 (10)
O7	0.2213 (3)	1.23746 (19)	0.2736 (3)	0.0943 (8)
N4	0.3923 (3)	0.7441 (2)	−0.0941 (3)	0.0771 (8)
N5	0.5883 (3)	0.7848 (2)	0.3412 (4)	0.0842 (9)
N6	0.1985 (2)	1.17761 (19)	0.1840 (3)	0.0659 (7)
C9	0.2872 (3)	0.9695 (2)	0.0282 (3)	0.0584 (7)
C10	0.3878 (3)	0.8291 (2)	0.0247 (3)	0.0594 (7)
C11	0.4814 (3)	0.7708 (2)	0.1245 (3)	0.0627 (8)
C12	0.4827 (3)	0.8454 (2)	0.2406 (3)	0.0644 (8)
C13	0.3882 (3)	0.9791 (2)	0.2580 (3)	0.0601 (7)
C14	0.2935 (3)	1.0374 (2)	0.1582 (3)	0.0564 (7)
O3B	0.445 (2)	0.6331 (18)	−0.080 (3)	0.106 (5)	0.312 (8)
O2B	0.3769 (15)	0.8021 (8)	−0.2409 (13)	0.108 (3)	0.312 (8)
N1	−0.0035 (2)	0.78322 (17)	0.2287 (3)	0.0597 (6)
N2	−0.0929 (2)	0.99391 (17)	0.3275 (3)	0.0628 (6)
N3	0.0821 (2)	0.82206 (17)	0.4380 (2)	0.0558 (6)
C2	−0.0048 (2)	0.8665 (2)	0.3325 (3)	0.0536 (6)
C4	0.1664 (3)	0.6923 (2)	0.4423 (3)	0.0603 (7)
C5	0.1663 (3)	0.6036 (2)	0.3407 (3)	0.0664 (8)
C6	0.0807 (3)	0.6509 (2)	0.2321 (3)	0.0646 (8)
C7	0.2642 (3)	0.6440 (3)	0.5575 (4)	0.0781 (9)
C8	0.0773 (4)	0.5666 (3)	0.1131 (4)	0.0892 (11)
H13	0.38940	1.02960	0.33850	0.0720*
H11	0.54570	0.67900	0.11460	0.0750*
H1	−0.05860	0.81590	0.15780	0.0720*
H2A	−0.09440	1.04920	0.39310	0.0750*
H2B	−0.15010	1.02350	0.25850	0.0750*
H5	0.22550	0.51140	0.34780	0.0800*
H7A	0.27220	0.71960	0.59560	0.1170*
H7B	0.37210	0.58370	0.49430	0.1170*
H7C	0.21290	0.59680	0.65860	0.1170*
H8A	−0.03440	0.58190	0.12970	0.1340*
H8B	0.13260	0.47300	0.13820	0.1340*
H8C	0.13150	0.58940	−0.00700	0.1340*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
O1	0.0948 (13)	0.0702 (10)	0.0866 (12)	−0.0162 (9)	−0.0554 (11)	−0.0085 (9)
O2A	0.118 (3)	0.086 (2)	0.116 (3)	−0.0278 (18)	−0.069 (3)	−0.0266 (19)
O3A	0.098 (4)	0.088 (3)	0.131 (6)	−0.001 (3)	−0.042 (4)	−0.053 (3)
O4	0.1227 (18)	0.0738 (13)	0.154 (2)	−0.0106 (12)	−0.0908 (17)	0.0036 (13)
O5	0.194 (3)	0.1013 (17)	0.159 (2)	−0.0228 (17)	−0.137 (2)	−0.0143 (16)
O6	0.149 (2)	0.0714 (13)	0.165 (2)	0.0122 (13)	−0.112 (2)	−0.0288 (13)
O7	0.1191 (16)	0.0653 (11)	0.1158 (16)	−0.0225 (10)	−0.0614 (14)	−0.0225 (10)
N4	0.0859 (15)	0.0681 (14)	0.0846 (15)	−0.0243 (11)	−0.0344 (12)	−0.0168 (11)
N5	0.0986 (16)	0.0713 (14)	0.0994 (17)	−0.0293 (12)	−0.0597 (14)	0.0124 (12)
N6	0.0720 (12)	0.0577 (11)	0.0685 (12)	−0.0211 (9)	−0.0263 (10)	−0.0040 (9)
C9	0.0583 (12)	0.0605 (12)	0.0599 (12)	−0.0239 (9)	−0.0220 (10)	−0.0003 (9)
C10	0.0628 (12)	0.0584 (12)	0.0612 (12)	−0.0246 (10)	−0.0205 (10)	−0.0071 (10)
C11	0.0644 (13)	0.0545 (12)	0.0702 (14)	−0.0219 (10)	−0.0241 (11)	−0.0007 (10)
C12	0.0701 (14)	0.0612 (13)	0.0706 (14)	−0.0257 (11)	−0.0350 (12)	0.0065 (10)
C13	0.0666 (13)	0.0599 (12)	0.0615 (12)	−0.0262 (10)	−0.0269 (10)	−0.0013 (10)
C14	0.0571 (11)	0.0531 (11)	0.0589 (12)	−0.0199 (9)	−0.0196 (9)	−0.0024 (9)
O3B	0.124 (10)	0.057 (4)	0.130 (9)	−0.017 (7)	−0.042 (8)	−0.028 (5)
O2B	0.143 (7)	0.092 (5)	0.093 (5)	−0.015 (4)	−0.062 (5)	−0.028 (4)
N1	0.0695 (11)	0.0499 (9)	0.0673 (11)	−0.0184 (8)	−0.0319 (9)	−0.0086 (8)
N2	0.0768 (12)	0.0473 (9)	0.0717 (12)	−0.0137 (8)	−0.0391 (10)	−0.0092 (8)
N3	0.0636 (10)	0.0480 (9)	0.0593 (10)	−0.0170 (7)	−0.0260 (8)	−0.0061 (7)
C2	0.0588 (11)	0.0481 (10)	0.0561 (11)	−0.0189 (8)	−0.0204 (9)	−0.0063 (8)
C4	0.0623 (12)	0.0539 (12)	0.0648 (13)	−0.0180 (9)	−0.0238 (10)	−0.0045 (9)
C5	0.0773 (14)	0.0463 (11)	0.0764 (15)	−0.0136 (10)	−0.0336 (12)	−0.0086 (10)
C6	0.0736 (14)	0.0482 (11)	0.0762 (15)	−0.0176 (10)	−0.0309 (12)	−0.0107 (10)
C7	0.0936 (18)	0.0622 (14)	0.0876 (17)	−0.0157 (12)	−0.0534 (15)	−0.0032 (12)
C8	0.121 (2)	0.0556 (14)	0.111 (2)	−0.0193 (14)	−0.0666 (19)	−0.0197 (14)

Geometric parameters (Å, º) top

O1—C9	1.242 (3)	C9—C14	1.453 (4)
O2A—N4	1.235 (7)	C9—C10	1.459 (3)
O2B—N4	1.311 (10)	C10—C11	1.358 (4)
O3A—N4	1.237 (10)	C11—C12	1.382 (4)
O3B—N4	1.124 (18)	C12—C13	1.387 (3)
O4—N5	1.214 (3)	C13—C14	1.365 (4)
O5—N5	1.206 (4)	C11—H11	0.9504
O6—N6	1.206 (4)	C13—H13	0.9500
O7—N6	1.206 (3)	C4—C5	1.401 (4)
N4—C10	1.456 (3)	C4—C7	1.486 (4)
N5—C12	1.449 (4)	C5—C6	1.355 (4)
N6—C14	1.452 (3)	C6—C8	1.490 (4)
N1—C6	1.357 (3)	C5—H5	0.9495
N1—C2	1.361 (3)	C7—H7A	0.9798
N2—C2	1.322 (3)	C7—H7B	0.9802
N3—C4	1.334 (3)	C7—H7C	0.9797
N3—C2	1.342 (3)	C8—H8A	0.9796
N1—H1	0.8798	C8—H8B	0.9797
N2—H2B	0.8801	C8—H8C	0.9800
N2—H2A	0.8796

O1···O2A	2.673 (4)	C2···O1ⁱ	3.253 (3)
O1···O6	2.628 (3)	C4···C11	3.491 (4)
O1···N6	2.888 (3)	C5···O3A^iv	3.302 (10)
O1···O2B	2.632 (9)	C6···O2A	3.300 (6)
O1···N1ⁱ	2.799 (3)	C7···O4^vi	3.301 (4)
O1···N2ⁱ	2.837 (3)	C7···O2A^vii	3.190 (6)
O1···C2ⁱ	3.253 (3)	C7···O6^ix	3.405 (5)
O2A···N1	3.177 (6)	C7···O2B^vii	3.309 (13)
O2A···N2ⁱ	3.038 (5)	C8···O6ⁱ	3.081 (5)
O2A···O1	2.673 (4)	C8···O4^xi	3.369 (5)
O2A···C6	3.300 (6)	C8···C8^xii	3.574 (6)
O2A···C7ⁱⁱ	3.190 (6)	C9···C13ⁱⁱⁱ	3.331 (4)
O2B···N2ⁱ	3.018 (13)	C9···C2	3.431 (4)
O2B···O5ⁱⁱ	2.773 (12)	C9···C12ⁱⁱⁱ	3.508 (4)
O2B···C7ⁱⁱ	3.309 (13)	C10···C2	3.589 (4)
O2B···O1	2.632 (9)	C10···C13ⁱⁱⁱ	3.562 (4)
O3A···O7ⁱⁱⁱ	3.219 (10)	C11···N6ⁱⁱⁱ	3.368 (4)
O3A···C5^iv	3.302 (10)	C11···C14ⁱⁱⁱ	3.568 (4)
O3B···O3B^iv	2.95 (3)	C11···C4	3.491 (4)
O4···C8^v	3.369 (5)	C12···C14ⁱⁱⁱ	3.558 (4)
O4···C7^vi	3.301 (4)	C12···C9ⁱⁱⁱ	3.508 (4)
O5···O2B^vii	2.773 (12)	C13···C10ⁱⁱⁱ	3.562 (4)
O5···O5^viii	3.150 (4)	C13···C9ⁱⁱⁱ	3.331 (4)
O6···O1	2.628 (3)	C14···C12ⁱⁱⁱ	3.558 (4)
O6···C7^ix	3.405 (5)	C14···C11ⁱⁱⁱ	3.568 (4)
O6···C8ⁱ	3.081 (5)	C4···H2A^ix	3.0869
O7···O3Aⁱⁱⁱ	3.219 (10)	C8···H8A^xii	3.0467
O7···N3^ix	3.228 (4)	H1···H2B	2.2819
O1···H1ⁱ	2.0150	H1···H8A	2.5333
O1···H2Bⁱ	2.0648	H1···O6ⁱ	2.6397
O2A···H7Aⁱⁱ	2.4280	H1···O1ⁱ	2.0150
O2A···H8C	2.7275	H2A···N3^ix	2.2289
O2A···H2Bⁱ	2.3287	H2A···H7A^ix	2.4310
O2B···H7Aⁱⁱ	2.4317	H2A···C4^ix	3.0869
O2B···H2Bⁱ	2.3017	H2B···O1ⁱ	2.0648
O3A···H11	2.3741	H2B···O2Aⁱ	2.3287
O3A···H5^iv	2.6178	H2B···H1	2.2819
O3B···H11	2.3900	H2B···O2Bⁱ	2.3017
O4···H11	2.4439	H5···H8B	2.4069
O4···H8A^v	2.5015	H5···H7B	2.5830
O4···H7C^vi	2.6869	H5···O3A^iv	2.6178
O5···H13^viii	2.5497	H7A···O2B^vii	2.4317
O5···H13	2.4301	H7A···H2A^ix	2.4310
O6···H8B^x	2.8560	H7A···O2A^vii	2.4280
O6···H7C^ix	2.9023	H7B···H7B^vi	2.4486
O6···H8Aⁱ	2.7156	H7B···H5	2.5830
O6···H1ⁱ	2.6397	H7C···H8C^vii	2.5946
O6···H8Cⁱ	2.6536	H7C···O6^ix	2.9023
O7···H8B^x	2.5798	H7C···O4^vi	2.6869
O7···H13	2.3305	H8A···C8^xii	3.0467
N1···O1ⁱ	2.799 (3)	H8A···H1	2.5333
N1···O2A	3.177 (6)	H8A···O6ⁱ	2.7156
N2···O2Aⁱ	3.038 (5)	H8A···O4^xi	2.5015
N2···N3^ix	3.107 (3)	H8B···O7^xiii	2.5798
N2···O1ⁱ	2.837 (3)	H8B···H5	2.4069
N2···O2Bⁱ	3.018 (13)	H8B···O6^xiii	2.8560
N3···O7^ix	3.228 (4)	H8C···O2A	2.7275
N3···N2^ix	3.107 (3)	H8C···O6ⁱ	2.6536
N3···N6^ix	3.289 (3)	H8C···H7Cⁱⁱ	2.5946
N6···N3^ix	3.289 (3)	H11···O4	2.4439
N6···C11ⁱⁱⁱ	3.368 (4)	H11···O3B	2.3900
N6···O1	2.888 (3)	H11···O3A	2.3741
N3···H2A^ix	2.2289	H13···O5^viii	2.5497
C2···C10	3.589 (4)	H13···O5	2.4301
C2···C9	3.431 (4)	H13···O7	2.3305

O2A—N4—O3A	122.0 (5)	N6—C14—C9	119.7 (2)
O2A—N4—C10	117.9 (3)	N6—C14—C13	115.9 (2)
O3A—N4—C10	119.1 (5)	C10—C11—H11	120.10
O2B—N4—C10	115.0 (5)	C12—C11—H11	120.15
O3B—N4—C10	120.9 (12)	C12—C13—H13	120.34
O2B—N4—O3B	121.2 (12)	C14—C13—H13	120.35
O4—N5—O5	122.4 (3)	N1—C2—N3	121.41 (19)
O4—N5—C12	118.9 (3)	N2—C2—N3	119.7 (2)
O5—N5—C12	118.7 (2)	N1—C2—N2	118.9 (2)
O6—N6—O7	121.1 (2)	N3—C4—C7	117.6 (2)
O6—N6—C14	119.6 (2)	C5—C4—C7	120.4 (2)
O7—N6—C14	119.2 (2)	N3—C4—C5	122.0 (2)
C2—N1—C6	121.5 (2)	C4—C5—C6	119.2 (2)
C2—N3—C4	117.8 (2)	N1—C6—C8	118.2 (3)
C6—N1—H1	119.22	C5—C6—C8	123.8 (2)
C2—N1—H1	119.25	N1—C6—C5	117.9 (2)
C2—N2—H2B	120.01	C4—C5—H5	120.45
C2—N2—H2A	120.03	C6—C5—H5	120.34
H2A—N2—H2B	119.96	C4—C7—H7A	109.48
O1—C9—C10	123.9 (2)	C4—C7—H7B	109.51
O1—C9—C14	124.6 (2)	C4—C7—H7C	109.48
C10—C9—C14	111.4 (2)	H7A—C7—H7B	109.44
N4—C10—C9	119.2 (2)	H7A—C7—H7C	109.48
N4—C10—C11	116.6 (2)	H7B—C7—H7C	109.44
C9—C10—C11	124.2 (2)	C6—C8—H8A	109.51
C10—C11—C12	119.8 (2)	C6—C8—H8B	109.49
N5—C12—C13	119.3 (2)	C6—C8—H8C	109.50
N5—C12—C11	119.8 (2)	H8A—C8—H8B	109.45
C11—C12—C13	120.9 (3)	H8A—C8—H8C	109.43
C12—C13—C14	119.3 (2)	H8B—C8—H8C	109.45
C9—C14—C13	124.3 (2)

O2A—N4—C10—C9	−28.4 (4)	C14—C9—C10—N4	178.0 (2)
O2A—N4—C10—C11	152.5 (4)	O1—C9—C10—C11	175.2 (3)
O3A—N4—C10—C9	162.5 (6)	O1—C9—C14—N6	3.1 (4)
O3A—N4—C10—C11	−16.6 (6)	O1—C9—C10—N4	−3.8 (4)
O4—N5—C12—C11	1.6 (4)	C14—C9—C10—C11	−3.0 (4)
O4—N5—C12—C13	−176.2 (3)	O1—C9—C14—C13	−174.8 (3)
O5—N5—C12—C11	−179.5 (3)	C10—C9—C14—N6	−178.7 (2)
O5—N5—C12—C13	2.8 (5)	C10—C9—C14—C13	3.3 (4)
O6—N6—C14—C9	12.8 (4)	N4—C10—C11—C12	−179.8 (3)
O6—N6—C14—C13	−169.1 (3)	C9—C10—C11—C12	1.2 (4)
O7—N6—C14—C9	−169.5 (3)	C10—C11—C12—N5	−177.0 (3)
O7—N6—C14—C13	8.6 (4)	C10—C11—C12—C13	0.7 (4)
C6—N1—C2—N3	2.6 (4)	N5—C12—C13—C14	177.4 (3)
C2—N1—C6—C5	−1.0 (4)	C11—C12—C13—C14	−0.3 (4)
C6—N1—C2—N2	−177.9 (2)	C12—C13—C14—C9	−1.9 (4)
C2—N1—C6—C8	−179.4 (3)	C12—C13—C14—N6	−179.9 (2)
C2—N3—C4—C7	179.1 (2)	N3—C4—C5—C6	1.3 (4)
C2—N3—C4—C5	0.2 (4)	C7—C4—C5—C6	−177.6 (3)
C4—N3—C2—N1	−2.1 (3)	C4—C5—C6—N1	−0.9 (4)
C4—N3—C2—N2	178.4 (2)	C4—C5—C6—C8	177.4 (3)

Symmetry codes: (i) −x, −y+2, −z; (ii) x, y, z−1; (iii) −x+1, −y+2, −z; (iv) −x+1, −y+1, −z; (v) x+1, y, z; (vi) −x+1, −y+1, −z+1; (vii) x, y, z+1; (viii) −x+1, −y+2, −z+1; (ix) −x, −y+2, −z+1; (x) x, y+1, z; (xi) x−1, y, z; (xii) −x, −y+1, −z; (xiii) x, y−1, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···O1ⁱ	0.88	2.02	2.799 (3)	148
N2—H2A···N3^ix	0.88	2.23	3.107 (3)	176
N2—H2B···O1ⁱ	0.88	2.06	2.837 (3)	146
N2—H2B···O2Aⁱ	0.88	2.33	3.038 (5)	138
C7—H7A···O2A^vii	0.98	2.43	3.190 (6)	134
C8—H8A···O4^xi	0.98	2.50	3.369 (5)	147
C8—H8B···O7^xiii	0.98	2.58	3.539 (4)	166
C13—H13···O5^viii	0.95	2.55	3.497 (4)	175

Symmetry codes: (i) −x, −y+2, −z; (vii) x, y, z+1; (viii) −x+1, −y+2, −z+1; (ix) −x, −y+2, −z+1; (xi) x−1, y, z; (xiii) x, y−1, z.

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