N-Benzoyl-N′-(tert-butyl­amino­carbonyl)thio­urea

The asymmetric unit of the title compound, C₁₃H₁₇N₃O₂, contains two mol­ecules and neither of them adopts a planar conformation. The crystal structure is stabilized by the inter­molecular N—H...O and intra­molecular N—H...O and N—H...S hydrogen bonds. The inter­molecular hydrogen bonds link the mol­ecules to form infinite chains along the b axis.

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean [sigma](C-C) = 0.006 Å
• R factor = 0.075
• wR factor = 0.214
• Data-to-parameter ratio = 18.0

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         48 Perc.
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N3     -   C10     ..       5.78 su
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C23
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C10
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6

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

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

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.

N-Benzoyl-N'-(tert-butylaminocarbonyl)thiourea

Crystal data

C13H17N3O2S	F(000) = 1184
Mr = 279.36	Dx = 1.272 Mg m^−3 Dm = 1.325 Mg m^−3 Dm measured by Method?
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 1882 reflections
a = 11.4872 (13) Å	θ = 2.7–18.7°
b = 30.416 (3) Å	µ = 0.22 mm^−1
c = 8.3472 (9) Å	T = 291 K
β = 90.317 (2)°	Block, colourless
V = 2916.4 (6) Å^3	0.24 × 0.10 × 0.10 mm
Z = 8

Data collection

Bruker SMART CCD area-detector diffractometer	3012 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.062
Graphite monochromator	θmax = 27.0°, θmin = 1.8°
φ and ω scans	h = −14→14
18170 measured reflections	k = −35→38
6284 independent reflections	l = −10→10

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.075	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.214	H-atom parameters constrained
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0972P)^2] where P = (Fo^2 + 2Fc^2)/3
6284 reflections	(Δ/σ)max < 0.001
349 parameters	Δρmax = 0.35 e Å^−3
0 restraints	Δρmin = −0.24 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) 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 (Ų)

	x	y	z	Uiso*/Ueq
S1	0.79306 (9)	0.16321 (4)	0.79603 (13)	0.0668 (4)
S2	0.29495 (9)	0.16151 (4)	0.67323 (14)	0.0698 (4)
O1	0.0376 (3)	0.06627 (10)	0.8909 (3)	0.0770 (9)
O2	−0.0568 (2)	0.11950 (9)	0.4793 (3)	0.0628 (7)
O3	0.5447 (2)	0.06290 (9)	0.5833 (3)	0.0741 (9)
O4	0.4461 (2)	0.11788 (9)	0.9901 (3)	0.0594 (7)
N1	0.2075 (2)	0.10421 (9)	0.8759 (3)	0.0522 (8)
H1A	0.2746	0.1071	0.9209	0.063*
N2	0.0896 (2)	0.11953 (10)	0.6606 (3)	0.0515 (8)
H2A	0.0501	0.0990	0.7054	0.062*
N3	0.0804 (3)	0.17309 (10)	0.4591 (4)	0.0584 (8)
H3A	0.1466	0.1817	0.4961	0.070*
N4	0.7097 (2)	0.10417 (9)	0.5959 (3)	0.0483 (7)
H4A	0.7760	0.1082	0.5508	0.058*
N5	0.5910 (2)	0.11855 (9)	0.8110 (4)	0.0526 (8)
H5A	0.5529	0.0971	0.7687	0.063*
N6	0.5797 (3)	0.17268 (10)	1.0106 (4)	0.0542 (8)
H6	0.6455	0.1816	0.9744	0.065*
C1	0.2516 (4)	0.07735 (15)	1.2083 (5)	0.0677 (12)
H1	0.3001	0.0988	1.1660	0.081*
C2	0.2727 (4)	0.06173 (16)	1.3606 (6)	0.0833 (14)
H2	0.3357	0.0722	1.4197	0.100*
C3	0.1998 (4)	0.03061 (16)	1.4244 (6)	0.0790 (14)
H3	0.2130	0.0201	1.5276	0.095*
C4	0.1088 (5)	0.01518 (16)	1.3373 (6)	0.0866 (15)
H4	0.0602	−0.0060	1.3812	0.104*
C5	0.0875 (4)	0.03028 (14)	1.1859 (5)	0.0720 (12)
H5	0.0243	0.0195	1.1280	0.086*
C6	0.1606 (3)	0.06185 (12)	1.1178 (4)	0.0507 (9)
C7	0.1297 (3)	0.07702 (12)	0.9537 (5)	0.0542 (10)
C8	0.1912 (3)	0.12751 (11)	0.7339 (4)	0.0472 (9)
C9	0.0332 (3)	0.13784 (13)	0.5245 (4)	0.0508 (9)
C10	0.0276 (4)	0.19883 (13)	0.3268 (5)	0.0591 (10)
C11	−0.0937 (4)	0.21496 (15)	0.3744 (6)	0.0859 (15)
H11A	−0.1447	0.1902	0.3866	0.129*
H11B	−0.1237	0.2341	0.2924	0.129*
H11C	−0.0887	0.2307	0.4738	0.129*
C12	0.0233 (5)	0.17172 (15)	0.1766 (5)	0.0828 (14)
H12A	0.1009	0.1637	0.1462	0.124*
H12B	−0.0123	0.1885	0.0921	0.124*
H12C	−0.0216	0.1456	0.1953	0.124*
C13	0.1081 (4)	0.23872 (15)	0.3064 (6)	0.0814 (14)
H13A	0.1071	0.2561	0.4023	0.122*
H13B	0.0815	0.2562	0.2176	0.122*
H13C	0.1860	0.2288	0.2864	0.122*
C14	0.7472 (3)	0.07993 (14)	0.2615 (5)	0.0619 (11)
H14	0.7901	0.1036	0.3007	0.074*
C15	0.7662 (4)	0.06469 (15)	0.1064 (5)	0.0718 (12)
H15	0.8221	0.0780	0.0424	0.086*
C16	0.7027 (4)	0.03007 (15)	0.0483 (6)	0.0788 (14)
H16	0.7140	0.0205	−0.0562	0.095*
C17	0.6223 (4)	0.00945 (15)	0.1433 (6)	0.0801 (14)
H17	0.5817	−0.0149	0.1054	0.096*
C18	0.6025 (4)	0.02521 (14)	0.2957 (5)	0.0746 (13)
H18	0.5457	0.0120	0.3585	0.090*
C19	0.6650 (3)	0.06011 (12)	0.3569 (4)	0.0517 (10)
C20	0.6353 (3)	0.07513 (12)	0.5195 (5)	0.0538 (10)
C21	0.6910 (3)	0.12736 (12)	0.7346 (4)	0.0501 (9)
C22	0.5346 (3)	0.13683 (13)	0.9458 (4)	0.0523 (9)
C23	0.5260 (3)	0.19858 (13)	1.1404 (5)	0.0590 (10)
C24	0.4058 (4)	0.21378 (15)	1.0916 (6)	0.0884 (15)
H24A	0.4101	0.2290	0.9910	0.133*
H24B	0.3757	0.2332	1.1718	0.133*
H24C	0.3554	0.1888	1.0808	0.133*
C25	0.5229 (5)	0.17158 (15)	1.2950 (5)	0.0880 (15)
H25A	0.4767	0.1457	1.2783	0.132*
H25B	0.4895	0.1889	1.3791	0.132*
H25C	0.6007	0.1632	1.3246	0.132*
C26	0.6051 (4)	0.23842 (14)	1.1636 (6)	0.0778 (13)
H26A	0.6792	0.2290	1.2045	0.117*
H26B	0.5700	0.2584	1.2382	0.117*
H26C	0.6157	0.2530	1.0626	0.117*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S1	0.0501 (6)	0.0764 (8)	0.0739 (7)	−0.0218 (5)	0.0084 (5)	−0.0197 (6)
S2	0.0497 (6)	0.0815 (8)	0.0780 (8)	−0.0209 (6)	−0.0071 (5)	0.0257 (6)
O1	0.0618 (19)	0.092 (2)	0.0768 (19)	−0.0352 (17)	−0.0135 (15)	0.0184 (16)
O2	0.0487 (16)	0.0768 (19)	0.0628 (17)	−0.0147 (14)	−0.0009 (13)	−0.0033 (14)
O3	0.0615 (19)	0.087 (2)	0.0740 (19)	−0.0362 (16)	0.0156 (15)	−0.0181 (15)
O4	0.0427 (15)	0.0733 (18)	0.0622 (16)	−0.0093 (13)	0.0061 (12)	0.0044 (14)
N1	0.0402 (17)	0.0606 (19)	0.0558 (19)	−0.0073 (15)	−0.0010 (14)	0.0087 (16)
N2	0.0421 (18)	0.0563 (19)	0.0560 (19)	−0.0127 (15)	−0.0005 (15)	0.0057 (15)
N3	0.0456 (19)	0.065 (2)	0.064 (2)	−0.0114 (16)	−0.0010 (15)	0.0079 (17)
N4	0.0445 (18)	0.0529 (18)	0.0476 (17)	−0.0069 (14)	0.0033 (14)	−0.0017 (15)
N5	0.0439 (18)	0.0549 (19)	0.0592 (19)	−0.0087 (15)	0.0064 (15)	−0.0072 (15)
N6	0.0436 (19)	0.0551 (19)	0.064 (2)	−0.0062 (15)	0.0080 (15)	−0.0062 (16)
C1	0.063 (3)	0.075 (3)	0.065 (3)	−0.009 (2)	0.001 (2)	0.017 (2)
C2	0.071 (3)	0.101 (4)	0.078 (3)	−0.003 (3)	−0.012 (3)	0.019 (3)
C3	0.091 (4)	0.082 (3)	0.063 (3)	0.017 (3)	0.006 (3)	0.015 (3)
C4	0.109 (4)	0.082 (3)	0.069 (3)	−0.013 (3)	0.026 (3)	0.015 (3)
C5	0.072 (3)	0.075 (3)	0.069 (3)	−0.022 (2)	0.014 (2)	0.003 (2)
C6	0.048 (2)	0.050 (2)	0.054 (2)	−0.0051 (18)	0.0062 (18)	−0.0003 (18)
C7	0.048 (2)	0.053 (2)	0.061 (2)	−0.0083 (19)	0.000 (2)	0.0053 (19)
C8	0.041 (2)	0.046 (2)	0.055 (2)	−0.0034 (16)	0.0025 (17)	0.0036 (17)
C9	0.042 (2)	0.060 (2)	0.051 (2)	0.0022 (19)	0.0014 (18)	−0.0010 (19)
C10	0.062 (3)	0.062 (2)	0.053 (2)	−0.001 (2)	−0.011 (2)	0.012 (2)
C11	0.063 (3)	0.081 (3)	0.114 (4)	0.015 (3)	−0.003 (3)	0.018 (3)
C12	0.115 (4)	0.075 (3)	0.059 (3)	−0.003 (3)	−0.007 (3)	−0.006 (2)
C13	0.090 (4)	0.074 (3)	0.080 (3)	−0.011 (3)	0.006 (3)	0.014 (3)
C14	0.051 (2)	0.072 (3)	0.063 (3)	−0.007 (2)	−0.001 (2)	−0.010 (2)
C15	0.066 (3)	0.089 (3)	0.061 (3)	0.002 (2)	0.008 (2)	−0.008 (2)
C16	0.095 (4)	0.075 (3)	0.066 (3)	0.023 (3)	−0.011 (3)	−0.019 (3)
C17	0.092 (4)	0.072 (3)	0.076 (3)	−0.012 (3)	−0.011 (3)	−0.013 (3)
C18	0.082 (3)	0.068 (3)	0.074 (3)	−0.018 (2)	−0.003 (2)	−0.007 (2)
C19	0.054 (2)	0.044 (2)	0.057 (2)	−0.0005 (18)	0.0017 (19)	−0.0015 (18)
C20	0.050 (2)	0.049 (2)	0.063 (2)	−0.0119 (19)	−0.0085 (19)	−0.0033 (19)
C21	0.046 (2)	0.055 (2)	0.049 (2)	−0.0057 (18)	−0.0068 (17)	0.0028 (18)
C22	0.042 (2)	0.058 (2)	0.057 (2)	0.0041 (19)	−0.0065 (18)	0.006 (2)
C23	0.059 (3)	0.061 (3)	0.057 (2)	0.001 (2)	0.002 (2)	−0.005 (2)
C24	0.062 (3)	0.094 (4)	0.109 (4)	0.017 (3)	0.011 (3)	−0.024 (3)
C25	0.114 (4)	0.077 (3)	0.073 (3)	−0.005 (3)	0.014 (3)	0.001 (3)
C26	0.086 (3)	0.067 (3)	0.080 (3)	−0.011 (3)	0.006 (3)	−0.014 (2)

Geometric parameters (Å, º)

C1—C6	1.370 (5)	C15—C16	1.369 (6)
C1—C2	1.378 (6)	C15—H15	0.9300
C1—H1	0.9300	C16—C17	1.372 (6)
C2—C3	1.373 (6)	C16—H16	0.9300
C2—H2	0.9300	C17—C18	1.380 (6)
C3—C4	1.354 (7)	C17—H17	0.9300
C3—H3	0.9300	C18—C19	1.379 (5)
C4—C5	1.365 (6)	C18—H18	0.9300
C4—H4	0.9300	C19—C20	1.474 (5)
C5—C6	1.398 (5)	C20—O3	1.229 (4)
C5—H5	0.9300	C20—N4	1.382 (4)
C6—C7	1.486 (5)	C21—N5	1.344 (4)
C7—O1	1.222 (4)	C21—N4	1.374 (4)
C7—N1	1.383 (4)	C21—S1	1.679 (4)
C8—N2	1.337 (4)	C22—O4	1.227 (4)
C8—N1	1.393 (4)	C22—N6	1.322 (5)
C8—S2	1.659 (3)	C22—N5	1.416 (5)
C9—O2	1.232 (4)	C23—N6	1.477 (5)
C9—N3	1.321 (5)	C23—C24	1.510 (6)
C9—N2	1.419 (5)	C23—C26	1.526 (6)
C10—N3	1.480 (5)	C23—C25	1.530 (6)
C10—C12	1.502 (5)	C24—H24A	0.9600
C10—C11	1.532 (6)	C24—H24B	0.9600
C10—C13	1.535 (5)	C24—H24C	0.9600
C11—H11A	0.9600	C25—H25A	0.9600
C11—H11B	0.9600	C25—H25B	0.9600
C11—H11C	0.9600	C25—H25C	0.9600
C12—H12A	0.9600	C26—H26A	0.9600
C12—H12B	0.9600	C26—H26B	0.9600
C12—H12C	0.9600	C26—H26C	0.9600
C13—H13A	0.9600	N1—H1A	0.8600
C13—H13B	0.9600	N2—H2A	0.8600
C13—H13C	0.9600	N3—H3A	0.8600
C14—C19	1.378 (5)	N4—H4A	0.8600
C14—C15	1.393 (5)	N5—H5A	0.8600
C14—H14	0.9300	N6—H6	0.8600
C6—C1—C2	121.3 (4)	C16—C17—C18	119.3 (4)
C6—C1—H1	119.3	C16—C17—H17	120.3
C2—C1—H1	119.3	C18—C17—H17	120.3
C3—C2—C1	119.4 (5)	C19—C18—C17	121.4 (4)
C3—C2—H2	120.3	C19—C18—H18	119.3
C1—C2—H2	120.3	C17—C18—H18	119.3
C4—C3—C2	120.1 (5)	C14—C19—C18	118.7 (4)
C4—C3—H3	120.0	C14—C19—C20	124.1 (3)
C2—C3—H3	120.0	C18—C19—C20	117.2 (3)
C3—C4—C5	121.0 (5)	O3—C20—N4	121.1 (3)
C3—C4—H4	119.5	O3—C20—C19	120.4 (3)
C5—C4—H4	119.5	N4—C20—C19	118.5 (3)
C4—C5—C6	120.2 (5)	N5—C21—N4	115.8 (3)
C4—C5—H5	119.9	N5—C21—S1	125.6 (3)
C6—C5—H5	119.9	N4—C21—S1	118.6 (3)
C1—C6—C5	118.0 (4)	O4—C22—N6	126.0 (4)
C1—C6—C7	125.4 (3)	O4—C22—N5	116.0 (3)
C5—C6—C7	116.6 (4)	N6—C22—N5	118.0 (3)
O1—C7—N1	121.2 (3)	N6—C23—C24	110.5 (3)
O1—C7—C6	120.9 (3)	N6—C23—C26	105.4 (3)
N1—C7—C6	117.8 (3)	C24—C23—C26	109.5 (4)
N2—C8—N1	114.2 (3)	N6—C23—C25	110.1 (3)
N2—C8—S2	126.9 (3)	C24—C23—C25	111.5 (4)
N1—C8—S2	118.9 (3)	C26—C23—C25	109.6 (4)
O2—C9—N3	125.9 (4)	C23—C24—H24A	109.5
O2—C9—N2	116.5 (3)	C23—C24—H24B	109.5
N3—C9—N2	117.5 (3)	H24A—C24—H24B	109.5
N3—C10—C12	110.1 (3)	C23—C24—H24C	109.5
N3—C10—C11	110.2 (3)	H24A—C24—H24C	109.5
C12—C10—C11	111.5 (4)	H24B—C24—H24C	109.5
N3—C10—C13	104.9 (3)	C23—C25—H25A	109.5
C12—C10—C13	111.0 (4)	C23—C25—H25B	109.5
C11—C10—C13	109.0 (3)	H25A—C25—H25B	109.5
C10—C11—H11A	109.5	C23—C25—H25C	109.5
C10—C11—H11B	109.5	H25A—C25—H25C	109.5
H11A—C11—H11B	109.5	H25B—C25—H25C	109.5
C10—C11—H11C	109.5	C23—C26—H26A	109.5
H11A—C11—H11C	109.5	C23—C26—H26B	109.5
H11B—C11—H11C	109.5	H26A—C26—H26B	109.5
C10—C12—H12A	109.5	C23—C26—H26C	109.5
C10—C12—H12B	109.5	H26A—C26—H26C	109.5
H12A—C12—H12B	109.5	H26B—C26—H26C	109.5
C10—C12—H12C	109.5	C7—N1—C8	128.3 (3)
H12A—C12—H12C	109.5	C7—N1—H1A	115.8
H12B—C12—H12C	109.5	C8—N1—H1A	115.8
C10—C13—H13A	109.5	C8—N2—C9	133.6 (3)
C10—C13—H13B	109.5	C8—N2—H2A	113.2
H13A—C13—H13B	109.5	C9—N2—H2A	113.2
C10—C13—H13C	109.5	C9—N3—C10	124.7 (3)
H13A—C13—H13C	109.5	C9—N3—H3A	117.6
H13B—C13—H13C	109.5	C10—N3—H3A	117.6
C19—C14—C15	120.2 (4)	C21—N4—C20	128.2 (3)
C19—C14—H14	119.9	C21—N4—H4A	115.9
C15—C14—H14	119.9	C20—N4—H4A	115.9
C16—C15—C14	119.9 (4)	C21—N5—C22	134.0 (3)
C16—C15—H15	120.0	C21—N5—H5A	113.0
C14—C15—H15	120.0	C22—N5—H5A	113.0
C15—C16—C17	120.4 (4)	C22—N6—C23	125.1 (3)
C15—C16—H16	119.8	C22—N6—H6	117.4
C17—C16—H16	119.8	C23—N6—H6	117.4
C6—C1—C2—C3	−1.2 (7)	C6—C7—N1—C8	−169.8 (3)
C1—C2—C3—C4	0.6 (8)	N2—C8—N1—C7	−5.1 (5)
C2—C3—C4—C5	−0.3 (8)	S2—C8—N1—C7	174.7 (3)
C3—C4—C5—C6	0.6 (7)	N1—C8—N2—C9	174.0 (3)
C2—C1—C6—C5	1.4 (7)	S2—C8—N2—C9	−5.7 (6)
C2—C1—C6—C7	179.0 (4)	O2—C9—N2—C8	172.9 (3)
C4—C5—C6—C1	−1.1 (6)	N3—C9—N2—C8	−7.9 (6)
C4—C5—C6—C7	−178.9 (4)	O2—C9—N3—C10	5.1 (6)
C1—C6—C7—O1	−169.1 (4)	N2—C9—N3—C10	−174.0 (3)
C5—C6—C7—O1	8.5 (6)	C12—C10—N3—C9	−66.4 (5)
C1—C6—C7—N1	9.9 (6)	C11—C10—N3—C9	57.0 (5)
C5—C6—C7—N1	−172.5 (3)	C13—C10—N3—C9	174.1 (4)
C19—C14—C15—C16	0.4 (6)	N5—C21—N4—C20	4.7 (5)
C14—C15—C16—C17	−1.8 (7)	S1—C21—N4—C20	−176.1 (3)
C15—C16—C17—C18	2.9 (7)	O3—C20—N4—C21	−8.9 (6)
C16—C17—C18—C19	−2.7 (7)	C19—C20—N4—C21	169.1 (3)
C15—C14—C19—C18	−0.1 (6)	N4—C21—N5—C22	−173.9 (3)
C15—C14—C19—C20	−177.2 (4)	S1—C21—N5—C22	7.0 (6)
C17—C18—C19—C14	1.3 (6)	O4—C22—N5—C21	−174.7 (4)
C17—C18—C19—C20	178.6 (4)	N6—C22—N5—C21	6.4 (6)
C14—C19—C20—O3	163.2 (4)	O4—C22—N6—C23	−5.4 (6)
C18—C19—C20—O3	−13.9 (6)	N5—C22—N6—C23	173.4 (3)
C14—C19—C20—N4	−14.9 (6)	C24—C23—N6—C22	−57.2 (5)
C18—C19—C20—N4	168.0 (4)	C26—C23—N6—C22	−175.4 (3)
O1—C7—N1—C8	9.1 (6)	C25—C23—N6—C22	66.5 (5)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1A···O4	0.86	2.08	2.927 (3)	170
N2—H2A···O1	0.86	1.85	2.586 (4)	143
N3—H3A···S2	0.86	2.33	3.057 (4)	142
N4—H4A···O2^i	0.86	2.04	2.896 (3)	171
N5—H5A···O3	0.86	1.87	2.598 (4)	142
N6—H6···S1	0.86	2.33	3.057 (4)	142

Symmetry code: (i) x+1, y, z.